A0A5K4F8J6_SCHMA Loading...

Bifunctional lysine-specific demethylase and histidyl-hydroxylase

Oxygenase that can act as both a histone lysine demethylase and a ribosomal histidine hydroxylase.

AlphaFold DB , UniProt , Accession A0A5K4F8J6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 771 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	57.5	Low	204 Å²	204	99 Å²	99	100%	1.005	47%	0.473	S	S	*	.				0	130.4	0	-77.7	-167.1	150.4	0	0	109	L35	M1-L35 HydrophobicContact CE-CD1 4.22Å
2	L	41.4	Very low	58.3	Low	93 Å²	93	102.2 Å²	102.2	49%	0.487	48%	0.483	S	S	.	.			trans	-69.2	151.5	174.1	-72.1	164.3	0	0	0	109.8	D6 L10	L2-D6 HydrophobicContact CB-CB 4.25Å; L2-D6 HydrophobicContact CD2-CB 4.08Å; L2-L10 HydrophobicContact CD1-CD1 4.39Å; L2-L10 HydrophobicContact CD1-CD2 4.14Å
3	S	55.6	Low	59.2	Low	56 Å²	56	99.9 Å²	99.9	39%	0.392	48%	0.476	S	S	.	.			trans	-65.2	153.6	167.6	79.6	0	0	0	0	109.3	R5 D6 F7	S3-R5 PolarHBondContact O-N 3.01Å; S3-D6 WeakPolarHBondContact CB-OD2 3.47Å; S3-D6 PolarHBondContact O-N 3.24Å; S3-D6 PolarHBondContact OG-N 2.81Å; S3-D6 PolarHBondContact OG-OD2 2.87Å; S3-F7 PolarHBondContact O-N 2.78Å
4	A	49.5	Very low	59.7	Low	54 Å²	54	96.5 Å²	96.5	45%	0.446	47%	0.468	S	S	.	.	H	α-helix	trans	-57.6	-34.3	179.5	0	0	0	0	0	112.3	F7 Y8 W387	A4-F7 PolarHBondContact O-N 3.39Å; A4-Y8 WeakPolarHBondContact O-CD2 3.39Å; A4-Y8 PolarHBondContact O-N 2.9Å; A4-W387 HydrophobicContact CB-CZ2 4.49Å
5	R	52.6	Low	60	Low	128 Å²	128	96.6 Å²	96.6	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-41.4	174.1	-174	178.4	-179	170.8	1.3	111.9	S3 R9 Y288	S3-R5 PolarHBondContact O-N 3.01Å; R5-R9 WeakPolarHBondContact O-CB 3.22Å; R5-R9 PolarHBondContact O-N 3.03Å; R5-Y288 PolarHBondContact NH1-OH 2.92Å
6	D	62.7	Low	60.9	Low	58 Å²	58	97.1 Å²	97.1	31%	0.31	48%	0.483	S	S	.	.	H	α-helix	trans	-72.8	-35.4	178.5	-60.9	-38.3	0	0	0	111.7	L2 S3 R9 L10	L2-D6 HydrophobicContact CB-CB 4.25Å; L2-D6 HydrophobicContact CD2-CB 4.08Å; S3-D6 WeakPolarHBondContact CB-OD2 3.47Å; S3-D6 PolarHBondContact O-N 3.24Å; S3-D6 PolarHBondContact OG-N 2.81Å; S3-D6 PolarHBondContact OG-OD2 2.87Å; D6-R9 PolarHBondContact O-N 3.13Å; D6-L10 WeakPolarHBondContact O-CB 3.43Å; D6-L10 PolarHBondContact O-N 2.72Å
7	F	64.9	Low	60.8	Low	50 Å²	50	94.9 Å²	94.9	22%	0.219	49%	0.491	C	S	.	.	H	α-helix	trans	-61.9	-50.9	173	-178.5	-95.6	0	0	0	111	S3 A4 R9 L10 E11 L31	S3-F7 PolarHBondContact O-N 2.78Å; A4-F7 PolarHBondContact O-N 3.39Å; F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.21Å; F7-L10 PolarHBondContact O-N 3.07Å; F7-L10 VanDerWaalsContact O-N 3.13Å; F7-E11 WeakPolarHBondContact O-CB 3.2Å; F7-E11 PolarHBondContact O-N 3.12Å; F7-L31 HydrophobicContact CD2-CD1 3.85Å; F7-L31 HydrophobicContact CE2-CD1 3.48Å; F7-L31 VanDerWaalsContact CE2-CD1 3.48Å
8	Y	62.5	Low	61.2	Low	164 Å²	164	98.1 Å²	98.1	64%	0.643	50%	0.5	S	S	*	.	H	α-helix	trans	-63.1	-36	176.6	-96.2	-78.5	0	0	0	112.9	A4 K12	A4-Y8 WeakPolarHBondContact O-CD2 3.39Å; A4-Y8 PolarHBondContact O-N 2.9Å; Y8-K12 WeakPolarHBondContact O-CB 3.44Å; Y8-K12 PolarHBondContact O-N 3.41Å
9	R	67.4	Low	60.9	Low	145 Å²	145	96.2 Å²	96.2	55%	0.547	49%	0.494	S	S	.	.	H	α-helix	trans	-64.4	-44.4	171.9	-96.4	-175.4	172.1	176.9	-3	111.5	R5 D6 F7 K12 L13	R5-R9 WeakPolarHBondContact O-CB 3.22Å; R5-R9 PolarHBondContact O-N 3.03Å; D6-R9 PolarHBondContact O-N 3.13Å; F7-R9 VanDerWaalsContact C-N 3.33Å; F7-R9 PolarHBondContact O-N 3.21Å; R9-K12 PolarHBondContact O-N 3.49Å; R9-L13 WeakPolarHBondContact O-CB 3.17Å; R9-L13 VanDerWaalsContact O-CG 3.25Å; R9-L13 WeakPolarHBondContact O-CG 3.43Å; R9-L13 PolarHBondContact O-N 3.24Å
10	L	65.1	Low	60.3	Low	58 Å²	58	101.6 Å²	101.6	30%	0.304	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-42.5	178	-114	91.7	0	0	0	111.8	L2 D6 F7 L13 S14 L27	L2-L10 HydrophobicContact CD1-CD1 4.39Å; L2-L10 HydrophobicContact CD1-CD2 4.14Å; D6-L10 WeakPolarHBondContact O-CB 3.43Å; D6-L10 PolarHBondContact O-N 2.72Å; F7-L10 PolarHBondContact O-N 3.07Å; F7-L10 VanDerWaalsContact O-N 3.13Å; L10-L13 PolarHBondContact O-N 3.49Å; L10-S14 WeakPolarHBondContact O-CB 3.45Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-L27 HydrophobicContact CB-CD1 4.5Å; L10-L27 HydrophobicContact CD2-CD1 3.94Å; L10-L27 HydrophobicContact CD2-CD2 3.92Å
11	E	67.7	Low	59.9	Low	79 Å²	79	99.7 Å²	99.7	37%	0.369	51%	0.509	S	S	.	.	H	α-helix	trans	-66.5	-38.7	178.8	-162.8	-178.4	-155.6	0	0	111.3	F7 S14 S15	F7-E11 WeakPolarHBondContact O-CB 3.2Å; F7-E11 PolarHBondContact O-N 3.12Å; E11-S14 PolarHBondContact O-N 2.99Å; E11-S15 WeakPolarHBondContact O-CB 3.29Å; E11-S15 PolarHBondContact O-N 2.98Å; E11-S15 PolarHBondContact O-OG 3.44Å
12	K	67.2	Low	60	Low	137 Å²	137	95.5 Å²	95.5	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-66	-37.8	172.2	-169.7	172.5	-176.9	175.3	0	112.8	Y8 R9 S15 Q16	Y8-K12 WeakPolarHBondContact O-CB 3.44Å; Y8-K12 PolarHBondContact O-N 3.41Å; R9-K12 PolarHBondContact O-N 3.49Å; K12-S15 WeakPolarHBondContact CA-OG 3.49Å; K12-S15 PolarHBondContact O-OG 2.86Å; K12-Q16 VanDerWaalsContact O-CG 3.29Å; K12-Q16 WeakPolarHBondContact O-CG 3.5Å; K12-Q16 PolarHBondContact O-N 2.86Å
13	L	69.4	Low	60.1	Low	73 Å²	73	96.7 Å²	96.7	38%	0.382	50%	0.503	S	S	.	.	H	α-helix	trans	-72.4	-34	175.8	-72.9	168.8	0	0	0	112	R9 L10 Q16 K18 V19	R9-L13 WeakPolarHBondContact O-CB 3.17Å; R9-L13 VanDerWaalsContact O-CG 3.25Å; R9-L13 WeakPolarHBondContact O-CG 3.43Å; R9-L13 PolarHBondContact O-N 3.24Å; L10-L13 PolarHBondContact O-N 3.49Å; L13-Q16 PolarHBondContact O-N 3.32Å; L13-K18 HydrophobicContact CD2-CB 4.48Å; L13-K18 HydrophobicContact CD2-CD 4.35Å; L13-K18 PolarHBondContact O-N 2.95Å; L13-K18 VanDerWaalsContact O-N 3.08Å; L13-V19 HydrophobicContact CB-CG2 3.78Å
14	S	67.2	Low	59.6	Low	52 Å²	52	98.2 Å²	98.2	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-44.8	174.3	-167.7	0	0	0	0	111.7	L10 E11 Q16 G17	L10-S14 WeakPolarHBondContact O-CB 3.45Å; L10-S14 PolarHBondContact O-N 3.4Å; E11-S14 PolarHBondContact O-N 2.99Å; S14-Q16 PolarHBondContact O-N 3.43Å; S14-G17 PolarHBondContact O-N 2.95Å
15	S	63.3	Low	59.6	Low	98 Å²	98	98.1 Å²	98.1	69%	0.685	52%	0.519	S	S	*	.	H	α-helix	trans	-67.3	-20.1	176.5	50.1	0	0	0	0	113.7	E11 K12 G17	E11-S15 WeakPolarHBondContact O-CB 3.29Å; E11-S15 PolarHBondContact O-N 2.98Å; E11-S15 PolarHBondContact O-OG 3.44Å; K12-S15 WeakPolarHBondContact CA-OG 3.49Å; K12-S15 PolarHBondContact O-OG 2.86Å; S15-G17 VanDerWaalsContact C-N 3.33Å
16	Q	74.8	Confident	60.1	Low	105 Å²	105	94.7 Å²	94.7	49%	0.491	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	5.4	171.6	-71.2	-177.6	-1.2	0	0	113.8	K12 L13 S14 K18	K12-Q16 VanDerWaalsContact O-CG 3.29Å; K12-Q16 WeakPolarHBondContact O-CG 3.5Å; K12-Q16 PolarHBondContact O-N 2.86Å; L13-Q16 PolarHBondContact O-N 3.32Å; S14-Q16 PolarHBondContact O-N 3.43Å; Q16-K18 HydrophobicContact CB-CD 4.44Å; Q16-K18 HydrophobicContact CB-CG 4.3Å; Q16-K18 PolarHBondContact O-N 2.83Å; Q16-K18 VanDerWaalsContact O-N 3.16Å
17	G	59.7	Low	59.6	Low	60 Å²	60	94.4 Å²	94.4	62%	0.619	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	12.4	-179	0	0	0	0	0	114.5	S14 S15 V19	S14-G17 PolarHBondContact O-N 2.95Å; S15-G17 VanDerWaalsContact C-N 3.33Å; G17-V19 VanDerWaalsContact C-N 3.34Å
18	K	67.4	Low	59.1	Low	152 Å²	152	95.2 Å²	95.2	66%	0.661	52%	0.522	S	S	*	.			trans	-87	-4.3	-177.2	-70.3	-176.9	177.3	176.4	0	113.6	L13 Q16	L13-K18 HydrophobicContact CD2-CB 4.48Å; L13-K18 HydrophobicContact CD2-CD 4.35Å; L13-K18 PolarHBondContact O-N 2.95Å; L13-K18 VanDerWaalsContact O-N 3.08Å; Q16-K18 HydrophobicContact CB-CD 4.44Å; Q16-K18 HydrophobicContact CB-CG 4.3Å; Q16-K18 PolarHBondContact O-N 2.83Å; Q16-K18 VanDerWaalsContact O-N 3.16Å
19	V	56.1	Low	59	Low	62 Å²	62	92 Å²	92	38%	0.376	51%	0.513	S	S	.	.	S	Bend	trans	-120.9	104.6	174.7	-175.6	0	0	0	0	107.3	L13 G17 S21	L13-V19 HydrophobicContact CB-CG2 3.78Å; G17-V19 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 2.8Å
20	K	49.4	Very low	58.8	Low	204 Å²	204	88.8 Å²	88.8	89%	0.887	50%	0.503	S	S	*	.			trans	-74.7	109.4	170.1	-73.2	-175.5	177.3	-177.8	0	107.8
21	S	51	Low	58.1	Low	62 Å²	62	89 Å²	89	43%	0.434	50%	0.504	S	S	.	.			trans	-72.2	127.3	165.7	66.4	0	0	0	0	108	V19 E23	V19-S21 PolarHBondContact O-N 2.8Å; S21-E23 VanDerWaalsContact CB-O 3.32Å; S21-E23 WeakPolarHBondContact CB-O 3.24Å; S21-E23 PolarHBondContact O-N 3.44Å; S21-E23 VanDerWaalsContact O-N 3.13Å; S21-E23 PolarHBondContact OG-O 2.66Å
22	S	46	Very low	57.8	Low	116 Å²	116	89.4 Å²	89.4	81%	0.811	51%	0.508	S	S	*	.	S	Bend	trans	-69.1	-3.3	178.1	56	0	0	0	0	113.6
23	E	43	Very low	57.3	Low	117 Å²	117	90.6 Å²	90.6	55%	0.547	51%	0.508	S	S	.	.	S	Bend	trans	-144.9	134.2	175.4	-66.4	174.9	162.1	0	0	106.2	S21 M25	S21-E23 VanDerWaalsContact CB-O 3.32Å; S21-E23 WeakPolarHBondContact CB-O 3.24Å; S21-E23 PolarHBondContact O-N 3.44Å; S21-E23 VanDerWaalsContact O-N 3.13Å; S21-E23 PolarHBondContact OG-O 2.66Å; E23-M25 PolarHBondContact O-N 2.8Å
24	G	44.5	Very low	56.5	Low	89 Å²	89	90.1 Å²	90.1	92%	0.918	51%	0.511	S	S	*	.	S	Bend	trans	-67	32.8	-171.1	0	0	0	0	0	116.7
25	M	49.5	Very low	55.4	Low	52 Å²	52	91.5 Å²	91.5	26%	0.256	51%	0.514	S	S	.	.			trans	-102.5	139.8	175.6	-70.8	-175.4	-69.7	0	0	111.3	E23	E23-M25 PolarHBondContact O-N 2.8Å
26	S	62.6	Low	54.6	Low	55 Å²	55	91.8 Å²	91.8	39%	0.385	51%	0.508	S	S	.	.			trans	-67.2	151.9	176.5	70.7	0	0	0	0	111.7	T28 E29 K30	S26-T28 PolarHBondContact O-N 2.98Å; S26-E29 PolarHBondContact N-OE2 2.8Å; S26-E29 PolarHBondContact O-N 3.36Å; S26-E29 VanDerWaalsContact OG-CG 3.32Å; S26-E29 WeakPolarHBondContact OG-CG 3.37Å; S26-E29 PolarHBondContact OG-N 3.42Å; S26-E29 PolarHBondContact OG-OE2 2.88Å; S26-K30 PolarHBondContact O-N 2.88Å
27	L	53.2	Low	53.4	Low	53 Å²	53	92.3 Å²	92.3	28%	0.277	52%	0.518	S	S	.	.	H	α-helix	trans	-58.3	-31.3	176.1	-94.1	149	0	0	0	112.6	L10 K30 L31	L10-L27 HydrophobicContact CB-CD1 4.5Å; L10-L27 HydrophobicContact CD2-CD1 3.94Å; L10-L27 HydrophobicContact CD2-CD2 3.92Å; L27-K30 PolarHBondContact O-N 3.21Å; L27-L31 PolarHBondContact O-N 3.43Å
28	T	53.9	Low	52.2	Low	66 Å²	66	95.9 Å²	95.9	41%	0.405	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-43.9	176.8	-41.6	0	0	0	0	111.4	S26 K30 L31 I32	S26-T28 PolarHBondContact O-N 2.98Å; T28-K30 PolarHBondContact O-N 2.87Å; T28-L31 PolarHBondContact O-N 3.07Å; T28-I32 HydrophobicContact CG2-CD1 4.34Å; T28-I32 WeakPolarHBondContact O-CG1 3.29Å; T28-I32 PolarHBondContact O-N 3.26Å
29	E	61.6	Low	50.7	Low	97 Å²	97	94.8 Å²	94.8	45%	0.453	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-36.2	176.2	-73.2	164.3	139.8	0	0	112.6	S26 L31 I32 R33	S26-E29 PolarHBondContact N-OE2 2.8Å; S26-E29 PolarHBondContact O-N 3.36Å; S26-E29 VanDerWaalsContact OG-CG 3.32Å; S26-E29 WeakPolarHBondContact OG-CG 3.37Å; S26-E29 PolarHBondContact OG-N 3.42Å; S26-E29 PolarHBondContact OG-OE2 2.88Å; E29-L31 VanDerWaalsContact C-N 3.3Å; E29-L31 PolarHBondContact O-N 3.46Å; E29-I32 PolarHBondContact O-N 3.25Å; E29-R33 PolarHBondContact O-N 2.73Å
30	K	62	Low	49.6	Very low	78 Å²	78	93.7 Å²	93.7	34%	0.339	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-37.5	174.3	-70.4	-173.2	-179.7	-171.7	0	111.8	S26 L27 T28 S34	S26-K30 PolarHBondContact O-N 2.88Å; L27-K30 PolarHBondContact O-N 3.21Å; T28-K30 PolarHBondContact O-N 2.87Å; K30-S34 WeakPolarHBondContact O-CB 3.03Å; K30-S34 PolarHBondContact O-N 2.82Å; K30-S34 PolarHBondContact O-OG 3.01Å
31	L	50	Low	48.8	Very low	62 Å²	62	90.1 Å²	90.1	33%	0.325	52%	0.523	S	S	.	.	H	α-helix	trans	-69.9	-43.5	176.4	-106.3	155.4	0	0	0	112	F7 L27 T28 E29 S34 L35	F7-L31 HydrophobicContact CD2-CD1 3.85Å; F7-L31 HydrophobicContact CE2-CD1 3.48Å; F7-L31 VanDerWaalsContact CE2-CD1 3.48Å; L27-L31 PolarHBondContact O-N 3.43Å; T28-L31 PolarHBondContact O-N 3.07Å; E29-L31 VanDerWaalsContact C-N 3.3Å; E29-L31 PolarHBondContact O-N 3.46Å; L31-S34 WeakPolarHBondContact O-CB 3.23Å; L31-S34 PolarHBondContact O-N 3.37Å; L31-L35 HydrophobicContact CD2-CD1 4.17Å; L31-L35 VanDerWaalsContact O-CD1 3.25Å; L31-L35 WeakPolarHBondContact O-CD1 3.34Å; L31-L35 PolarHBondContact O-N 3.18Å
32	I	61.8	Low	47.7	Very low	88 Å²	88	93.2 Å²	93.2	45%	0.451	54%	0.543	S	S	.	.	H	α-helix	trans	-60.2	-47.6	175.9	-67.1	167.1	0	0	0	110.3	T28 E29 S34 L35 D36	T28-I32 HydrophobicContact CG2-CD1 4.34Å; T28-I32 WeakPolarHBondContact O-CG1 3.29Å; T28-I32 PolarHBondContact O-N 3.26Å; E29-I32 PolarHBondContact O-N 3.25Å; I32-S34 VanDerWaalsContact C-N 3.28Å; I32-S34 PolarHBondContact O-N 3.03Å; I32-L35 PolarHBondContact O-N 3.46Å; I32-L35 VanDerWaalsContact O-N 3.09Å; I32-D36 PolarHBondContact O-N 2.92Å
33	R	57.8	Low	46.8	Very low	162 Å²	162	93 Å²	93	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-62.1	-33.5	175.7	-76.3	-170.7	-179.7	-165.5	2.8	113.6	E29 D36 T37	E29-R33 PolarHBondContact O-N 2.73Å; R33-D36 PolarHBondContact O-N 2.65Å; R33-T37 PolarHBondContact O-N 3.04Å; R33-T37 PolarHBondContact O-OG1 3.44Å
34	S	52.5	Low	46	Very low	63 Å²	63	93.3 Å²	93.3	44%	0.441	55%	0.551	S	S	.	*	H	α-helix	trans	-71.4	-31.5	176.3	-58.6	0	0	0	0	112.2	K30 L31 I32 T37 L38	K30-S34 WeakPolarHBondContact O-CB 3.03Å; K30-S34 PolarHBondContact O-N 2.82Å; K30-S34 PolarHBondContact O-OG 3.01Å; L31-S34 WeakPolarHBondContact O-CB 3.23Å; L31-S34 PolarHBondContact O-N 3.37Å; I32-S34 VanDerWaalsContact C-N 3.28Å; I32-S34 PolarHBondContact O-N 3.03Å; S34-T37 VanDerWaalsContact CA-OG1 3.31Å; S34-T37 WeakPolarHBondContact CA-OG1 3.32Å; S34-T37 PolarHBondContact O-OG1 3.17Å; S34-L38 PolarHBondContact O-N 2.73Å
35	L	44.2	Very low	45.2	Very low	80 Å²	80	96 Å²	96	42%	0.419	54%	0.544	S	S	.	.	H	α-helix	trans	-73.9	-36	171.2	-92.9	98.7	0	0	0	112	M1 L31 I32 T37 L38 N39	M1-L35 HydrophobicContact CE-CD1 4.22Å; L31-L35 HydrophobicContact CD2-CD1 4.17Å; L31-L35 VanDerWaalsContact O-CD1 3.25Å; L31-L35 WeakPolarHBondContact O-CD1 3.34Å; L31-L35 PolarHBondContact O-N 3.18Å; I32-L35 PolarHBondContact O-N 3.46Å; I32-L35 VanDerWaalsContact O-N 3.09Å; L35-T37 VanDerWaalsContact C-N 3.33Å; L35-T37 PolarHBondContact O-N 2.92Å; L35-L38 PolarHBondContact O-N 2.87Å; L35-N39 PolarHBondContact O-N 2.95Å; L35-N39 PolarHBondContact O-ND2 3.26Å
36	D	46.3	Very low	44.1	Very low	104 Å²	104	103.3 Å²	103.3	56%	0.556	57%	0.574	S	S	*	*	H	α-helix	trans	-66.9	-34.5	175.8	-72.4	-27.5	0	0	0	112.2	I32 R33 L38 N39 G40	I32-D36 PolarHBondContact O-N 2.92Å; R33-D36 PolarHBondContact O-N 2.65Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 3.31Å; D36-N39 PolarHBondContact O-N 3.17Å; D36-G40 PolarHBondContact O-N 3.23Å
37	T	48	Very low	42.6	Very low	116 Å²	116	108.5 Å²	108.5	71%	0.712	60%	0.596	S	S	*	*	H	α-helix	trans	-69.6	-24.8	173.2	21.9	0	0	0	0	113.3	R33 S34 L35	R33-T37 PolarHBondContact O-N 3.04Å; R33-T37 PolarHBondContact O-OG1 3.44Å; S34-T37 VanDerWaalsContact CA-OG1 3.31Å; S34-T37 WeakPolarHBondContact CA-OG1 3.32Å; S34-T37 PolarHBondContact O-OG1 3.17Å; L35-T37 VanDerWaalsContact C-N 3.33Å; L35-T37 PolarHBondContact O-N 2.92Å
38	L	35.4	Very low	41.6	Very low	135 Å²	135	110.4 Å²	110.4	71%	0.707	61%	0.614	S	S	*	*	H	α-helix	trans	-79.6	-18.2	172.8	-77.7	162.4	0	0	0	113.1	S34 L35 D36	S34-L38 PolarHBondContact O-N 2.73Å; L35-L38 PolarHBondContact O-N 2.87Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 3.31Å
39	N	36.4	Very low	40.4	Very low	130 Å²	130	116.8 Å²	116.8	70%	0.695	64%	0.636	S	S	*	*	S	Bend	trans	-101.9	5.9	-179.2	-71.7	-34.4	0	0	0	113.8	L35 D36	L35-N39 PolarHBondContact O-N 2.95Å; L35-N39 PolarHBondContact O-ND2 3.26Å; D36-N39 PolarHBondContact O-N 3.17Å
40	G	33.4	Very low	38.7	Very low	38 Å²	38	118.3 Å²	118.3	39%	0.392	66%	0.655	S	S	.	*	S	Bend	trans	-67.8	144.5	168.9	0	0	0	0	0	111	D36 C42	D36-G40 PolarHBondContact O-N 3.23Å; G40-C42 PolarHBondContact O-N 2.82Å
41	P	31.1	Very low	37.2	Very low	130 Å²	130	123 Å²	123	84%	0.844	68%	0.682	S	S	*	*			trans	-64.1	108.7	173.5	27.3	-30.2	0	0	0	107.5	S43	P41-S43 VanDerWaalsContact C-N 3.25Å; P41-S43 PolarHBondContact O-N 3.48Å
42	C	27.8	Very low	36.1	Very low	126 Å²	126	124.2 Å²	124.2	85%	0.851	70%	0.702	S	S	*	*			trans	-57.2	97.6	163.9	-85.4	0	0	0	0	107.6	G40 V44	G40-C42 PolarHBondContact O-N 2.82Å; C42-V44 VanDerWaalsContact C-N 3.3Å; C42-V44 PolarHBondContact O-N 2.96Å
43	S	28.7	Very low	34.7	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	71%	0.713	S	S	*	*			trans	-62.2	97.5	165.6	62.5	0	0	0	0	107.3	P41 N45	P41-S43 VanDerWaalsContact C-N 3.25Å; P41-S43 PolarHBondContact O-N 3.48Å; S43-N45 PolarHBondContact O-N 2.87Å; S43-N45 VanDerWaalsContact O-N 3.14Å
44	V	26.4	Very low	33.5	Very low	125 Å²	125	125.4 Å²	125.4	76%	0.758	72%	0.723	S	S	*	*			trans	-59.6	108.3	154.8	178.7	0	0	0	0	105.6	C42	C42-V44 VanDerWaalsContact C-N 3.3Å; C42-V44 PolarHBondContact O-N 2.96Å
45	N	26.7	Very low	32.5	Very low	145 Å²	145	127.8 Å²	127.8	78%	0.775	74%	0.735	S	S	*	*			trans	174	112.7	144.4	-86.8	-20.7	0	0	0	111.7	S43	S43-N45 PolarHBondContact O-N 2.87Å; S43-N45 VanDerWaalsContact O-N 3.14Å
46	K	27.2	Very low	31.7	Very low	205 Å²	205	128.2 Å²	128.2	89%	0.891	75%	0.745	S	S	*	*				167.8	87.5	122.8	-90.9	174.8	-177.8	-179.9	0	110.5
47	I	30.8	Very low	31.1	Very low	164 Å²	164	129 Å²	129	84%	0.841	75%	0.749	S	S	*	*	S	Bend	trans	-128.3	99	140.8	-65.6	-176.1	0	0	0	106.2
48	S	31.8	Very low	30.3	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	75%	0.749	S	S	*	*			trans	35.3	112.8	148.5	52.1	0	0	0	0	121.2
49	K	28.8	Very low	30.1	Very low	200 Å²	200	130.4 Å²	130.4	87%	0.87	75%	0.747	S	S	*	*			trans	48.5	116	131.3	-67.4	-178.9	176.6	-179.6	0	119
50	P	25.9	Very low	29.9	Very low	129 Å²	129	130 Å²	130	84%	0.838	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-90.6	127.9	149.1	33.1	-22.6	0	0	0	109.4
51	L	29.5	Very low	29.8	Very low	175 Å²	175	134.7 Å²	134.7	92%	0.916	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-92	130.1	160.9	-149.9	80.9	0	0	0	108
52	A	27.9	Very low	29.8	Very low	89 Å²	89	136 Å²	136	74%	0.736	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-71.7	153.7	175.5	0	0	0	0	0	112.4
53	S	31.6	Very low	30	Very low	97 Å²	97	134.5 Å²	134.5	68%	0.678	74%	0.74	S	S	*	*				178.2	110.5	121.2	55.4	0	0	0	0	107.9
54	E	32.6	Very low	30.1	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	74%	0.739	S	S	*	*				91.9	133.5	103.5	-75.2	178.8	-179.4	0	0	110.6
55	T	31.8	Very low	30.4	Very low	113 Å²	113	134.9 Å²	134.9	69%	0.693	73%	0.733	S	S	*	*			cis	-168.7	120.1	14	11.4	0	0	0	0	104.5
56	S	28.5	Very low	30.6	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	73%	0.734	S	S	*	*				37.7	120.2	83.7	75.3	0	0	0	0	113.5
57	N	32.3	Very low	30.6	Very low	122 Å²	122	135 Å²	135	65%	0.652	73%	0.727	S	S	*	*				-178.9	129.6	81.3	-101.8	-16.7	0	0	0	110
58	Q	32.7	Very low	30.4	Very low	152 Å²	152	135.9 Å²	135.9	71%	0.71	73%	0.725	S	S	*	*				79.4	142.7	94.1	-80.3	-173.9	20.4	0	0	112.5
59	L	30.5	Very low	30.5	Very low	127 Å²	127	143.1 Å²	143.1	67%	0.665	74%	0.737	S	S	*	*			cis	-166.8	166.2	13.9	-95.8	152.4	0	0	0	103.6
60	N	31.2	Very low	30.4	Very low	123 Å²	123	145 Å²	145	66%	0.658	74%	0.739	S	S	*	*			cis	-176.1	139.2	48	-129.3	-11.8	0	0	0	110.3
61	E	31.4	Very low	30.8	Very low	136 Å²	136	150.6 Å²	150.6	64%	0.636	74%	0.744	S	S	*	*			trans	9.9	149.3	132.1	-67.5	-166.6	139.1	0	0	120.3
62	K	31.5	Very low	30.7	Very low	157 Å²	157	153.9 Å²	153.9	68%	0.683	74%	0.744	S	S	*	*			cis	-174.9	144.3	31.4	-126.8	157.2	-171.8	153.3	0	110.7
63	S	32.5	Very low	31	Very low	95 Å²	95	159.1 Å²	159.1	66%	0.664	75%	0.75	S	S	*	*			trans	41.2	146.2	135.6	70.9	0	0	0	0	121.4
64	N	31.3	Very low	30.9	Very low	139 Å²	139	165.6 Å²	165.6	74%	0.743	76%	0.759	S	S	*	*			cis	-175.5	152.8	19.7	-123.6	-17.2	0	0	0	111.3
65	T	32.4	Very low	30.8	Very low	105 Å²	105	166.7 Å²	166.7	64%	0.644	76%	0.762	S	S	*	*			trans	73.5	118.7	142.4	57.5	0	0	0	0	125.2
66	K	29.9	Very low	30.8	Very low	180 Å²	180	170.5 Å²	170.5	78%	0.783	77%	0.769	S	S	*	*				87.4	117.8	123.6	-77.1	175.7	-179.5	167.1	0	122
67	K	28.3	Very low	31	Very low	171 Å²	171	171.9 Å²	171.9	74%	0.743	78%	0.779	S	S	*	*				90.9	124.7	128.9	-85.7	-179	177.4	173.1	0	120.7
68	K	26.6	Very low	30.9	Very low	184 Å²	184	169.1 Å²	169.1	80%	0.8	78%	0.779	S	S	*	*			trans	70.3	114.5	141.7	-73.1	-179.4	173.9	179.9	0	117.9
69	R	32.6	Very low	30.8	Very low	245 Å²	245	168.5 Å²	168.5	93%	0.925	78%	0.78	S	S	*	*				177	143.4	95	-112.6	171.9	142.3	136.1	-6.9	112.6
70	R	27.5	Very low	30.8	Very low	240 Å²	240	169.5 Å²	169.5	91%	0.906	79%	0.786	S	S	*	*			trans	-35.8	140.5	161.1	-69.5	168	156.9	167.6	-7	114
71	R	34	Very low	30.7	Very low	247 Å²	247	167.3 Å²	167.3	93%	0.932	79%	0.793	S	S	*	*				-156.8	111.8	128.4	-112.4	173.8	179.8	169.5	0.6	111.1
72	R	28	Very low	30.6	Very low	243 Å²	243	165.7 Å²	165.7	92%	0.917	80%	0.796	S	S	*	*			trans	-64.7	137	152.1	-79.3	176.4	162.7	177.4	-5.2	107.9
73	K	32.9	Very low	30.7	Very low	200 Å²	200	168.3 Å²	168.3	87%	0.87	81%	0.808	S	S	*	*			trans	-147.8	103.3	141.5	-110.1	-177.6	-179.4	-179.6	0	108.2
74	R	30	Very low	30.5	Very low	232 Å²	232	168 Å²	168	88%	0.875	81%	0.811	S	S	*	*			trans	-65.2	134.5	151.6	-79.9	175.9	160.5	171.7	-7.5	107.1
75	K	31	Very low	30.7	Very low	201 Å²	201	168.3 Å²	168.3	87%	0.874	82%	0.818	S	S	*	*			trans	-125.9	113.5	148	-100.5	-170.4	173.5	-172	0	106.9
76	F	30.8	Very low	30.4	Very low	192 Å²	192	170.3 Å²	170.3	84%	0.842	83%	0.825	S	S	*	*			trans	-75.6	136.3	157.6	-110.8	-99.9	0	0	0	107.3
77	S	34.6	Very low	30.6	Very low	119 Å²	119	169.9 Å²	169.9	83%	0.832	83%	0.829	S	S	*	*			trans	-158.4	110	144.5	53.8	0	0	0	0	106.7
78	G	28.5	Very low	30.6	Very low	63 Å²	63	165 Å²	165	65%	0.649	83%	0.828	S	S	*	*			trans	-89.4	179.3	162.7	0	0	0	0	0	111.1
79	N	30.7	Very low	30.6	Very low	140 Å²	140	162.2 Å²	162.2	75%	0.749	83%	0.83	S	S	*	*			trans	91.9	107.3	168	-75.2	36.7	0	0	0	119.2
80	D	30.1	Very low	30.5	Very low	147 Å²	147	155.9 Å²	155.9	79%	0.786	82%	0.824	S	S	*	*				71	128.5	117.6	-54.9	-20.2	0	0	0	120.5
81	G	30.6	Very low	30.7	Very low	77 Å²	77	153.1 Å²	153.1	79%	0.794	82%	0.818	S	S	*	*			trans	173.7	81.7	169.6	0	0	0	0	0	112.1
82	S	29.8	Very low	30.4	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	81%	0.809	S	S	*	*			trans	-41.3	151.3	164.7	52.4	0	0	0	0	115.2
83	F	33	Very low	30.6	Very low	213 Å²	213	146.9 Å²	146.9	93%	0.934	81%	0.808	S	S	*	*				-162.1	131.7	127.5	-104	-74.3	0	0	0	111
84	A	28.6	Very low	30.4	Very low	87 Å²	87	144 Å²	144	72%	0.719	80%	0.802	S	S	*	*			trans	-84.9	153.9	173	0	0	0	0	0	111
85	T	34.2	Very low	30.5	Very low	146 Å²	146	140.9 Å²	140.9	90%	0.896	80%	0.802	S	S	*	*			trans	-152.9	126.1	143	31.8	0	0	0	0	110.5
86	D	27	Very low	30.4	Very low	148 Å²	148	139.6 Å²	139.6	79%	0.791	80%	0.799	S	S	*	*			trans	-60.8	162.8	163.8	-77.1	-51	0	0	0	112.6
87	I	33.8	Very low	30.3	Very low	170 Å²	170	136 Å²	136	87%	0.872	80%	0.798	S	S	*	*				150.5	125.7	123.8	-74.6	157.6	0	0	0	111.3
88	G	28.8	Very low	29.8	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	79%	0.793	S	S	*	*				104.4	105	123.1	0	0	0	0	0	119.2
89	C	25.2	Very low	29.8	Very low	124 Å²	124	140.4 Å²	140.4	84%	0.838	80%	0.804	S	S	*	*			trans	-69.1	137.3	157.7	-172.9	0	0	0	0	111.2
90	S	31.9	Very low	29.5	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	81%	0.805	S	S	*	*			trans	-173.7	117.3	144.9	-83.7	0	0	0	0	114.1
91	K	30.8	Very low	29.3	Very low	183 Å²	183	140 Å²	140	80%	0.796	81%	0.807	S	S	*	*				40.2	117.4	127.6	-72.6	-177.8	176.9	177.8	0	122.2
92	T	27.2	Very low	29.1	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	81%	0.81	S	S	*	*				59.3	122.6	126	62.3	0	0	0	0	121.5
93	R	32.5	Very low	28.9	Very low	238 Å²	238	143.7 Å²	143.7	90%	0.898	82%	0.815	S	S	*	*			trans	-157.2	107	130.1	-101.9	174.8	-170.6	162.2	3.2	110.5
94	D	29.1	Very low	28.6	Very low	138 Å²	138	141.3 Å²	141.3	74%	0.738	81%	0.811	S	S	*	*			trans	29.6	123.9	131.2	-46	-35.2	0	0	0	120.1
95	L	31.8	Very low	28.5	Very low	167 Å²	167	142.9 Å²	142.9	87%	0.874	81%	0.812	S	S	*	*				-164.4	131.7	106.9	-107.1	146.5	0	0	0	111.8
96	E	28.5	Very low	28.2	Very low	175 Å²	175	140.5 Å²	140.5	82%	0.818	80%	0.802	S	S	*	*			trans	-56	156.3	179	-60.1	159.9	138.1	0	0	112
97	S	30.2	Very low	28.3	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	80%	0.804	S	S	*	*				-173.4	142.7	55	44.8	0	0	0	0	110.9
98	S	24	Very low	28.1	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	79%	0.793	S	S	*	*			trans	-90.6	149.3	162.6	40.4	0	0	0	0	110
99	L	28.4	Very low	28.2	Very low	170 Å²	170	143.1 Å²	143.1	89%	0.89	80%	0.802	S	S	*	*				176.4	153.7	120.7	-91.8	160.6	0	0	0	113.1
100	N	24.8	Very low	28.3	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	81%	0.805	S	S	*	*			trans	-88.9	166.8	-168.6	-82.4	-40.7	0	0	0	114.3
101	T	24.3	Very low	28.2	Very low	137 Å²	137	149.5 Å²	149.5	84%	0.84	81%	0.807	S	S	*	*			trans	69.7	116.6	145	43.6	0	0	0	0	120.2
102	A	28	Very low	28.1	Very low	102 Å²	102	149.7 Å²	149.7	84%	0.843	81%	0.808	S	S	*	*				-177.8	147.1	110.2	0	0	0	0	0	111.9
103	D	24.2	Very low	28.1	Very low	156 Å²	156	152.4 Å²	152.4	83%	0.834	81%	0.813	S	S	*	*			trans	-54.8	154.4	171.1	-77.1	-52.9	0	0	0	114.4
104	L	28.4	Very low	28	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	81%	0.809	S	S	*	*				-176	127	119.7	-92.6	164.8	0	0	0	111.9
105	T	25.5	Very low	27.9	Very low	120 Å²	120	150 Å²	150	74%	0.736	82%	0.817	S	S	*	*			trans	-22.5	156	151.5	55.5	0	0	0	0	116.4
106	S	27.9	Very low	27.8	Very low	97 Å²	97	151 Å²	151	68%	0.678	82%	0.817	S	S	*	*			cis	-172.9	146.8	37.3	41.6	0	0	0	0	109
107	E	29.3	Very low	28.1	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	81%	0.811	S	S	*	*				141.5	147.5	113.9	-76.7	-169	168	0	0	104.8
108	S	30.1	Very low	28	Very low	92 Å²	92	152.5 Å²	152.5	64%	0.643	82%	0.817	S	S	*	*			cis	-172.5	142.7	-3.9	46.4	0	0	0	0	104.5
109	D	30.2	Very low	28.2	Very low	169 Å²	169	157.3 Å²	157.3	90%	0.904	83%	0.825	S	S	*	*			trans	-174.2	106.4	140.8	-91.4	-17.1	0	0	0	109.2
110	Q	27.5	Very low	28.2	Very low	193 Å²	193	158.9 Å²	158.9	90%	0.902	83%	0.827	S	S	*	*			trans	-115	127.7	164.7	-82.9	-175.9	-9.3	0	0	107.8
111	E	30.4	Very low	28.4	Very low	177 Å²	177	159.3 Å²	159.3	83%	0.827	82%	0.823	S	S	*	*			trans	-177.3	109.2	148.5	-105.6	179	-175.5	0	0	104.9
112	F	28.8	Very low	28.4	Very low	187 Å²	187	159.1 Å²	159.1	82%	0.82	83%	0.825	S	S	*	*				-158.8	124.2	69.6	-102.7	-99.7	0	0	0	110.2
113	Q	26.2	Very low	28.5	Very low	179 Å²	179	159.3 Å²	159.3	84%	0.836	81%	0.812	S	S	*	*			trans	-107.2	132	147.5	-80.8	-174.7	-4.5	0	0	107.4
114	N	29.5	Very low	28.5	Very low	151 Å²	151	158.4 Å²	158.4	81%	0.807	81%	0.806	S	S	*	*			trans	-176.6	111.5	144.7	-93.5	-32.6	0	0	0	109.4
115	L	28	Very low	28.6	Very low	175 Å²	175	160.5 Å²	160.5	92%	0.916	81%	0.809	S	S	*	*				173.6	108.2	119.5	-88.1	165.7	0	0	0	110.2
116	H	29	Very low	28.7	Very low	188 Å²	188	162 Å²	162	87%	0.87	81%	0.807	S	S	*	*			trans	-77.5	166.3	167.3	-105.2	-80.8	0	0	0	111.8
117	P	34.7	Very low	28.7	Very low	108 Å²	108	164.3 Å²	164.3	70%	0.701	82%	0.817	S	S	*	*			trans	-95.6	161.7	-158.3	37.8	-35.3	0	0	0	114.5
118	K	29.7	Very low	28.6	Very low	215 Å²	215	161.4 Å²	161.4	94%	0.935	81%	0.807	S	S	*	*			trans	-110.1	129.7	164.2	-87.8	-175.8	179.1	176.3	0	112.1
119	K	27.5	Very low	28.5	Very low	204 Å²	204	164 Å²	164	89%	0.887	81%	0.814	S	S	*	*			trans	-50.7	143.5	172.7	-62.4	161.9	175.1	175.6	0	113.3
120	Q	29	Very low	28.3	Very low	202 Å²	202	160.2 Å²	160.2	94%	0.944	80%	0.8	S	S	*	*				-137.8	137.8	125.8	-149.5	169.7	25.7	0	0	109.9
121	K	27.3	Very low	28.4	Very low	151 Å²	151	158.7 Å²	158.7	66%	0.657	80%	0.798	S	S	*	*			trans	-109.8	141.1	-164.2	-157.3	-169	-171.7	-138	0	106.6	D123	K121-D123 VanDerWaalsContact CE-OD1 3.22Å; K121-D123 WeakPolarHBondContact CE-OD1 3.3Å; K121-D123 IonicContact NZ-OD1 2.88Å; K121-D123 PolarHBondContact NZ-OD1 3.28Å; K121-D123 IonicContact NZ-OD2 3.13Å
122	C	25.9	Very low	28.2	Very low	132 Å²	132	156 Å²	156	89%	0.892	79%	0.794	S	S	*	*			trans	-142.5	128.2	143.7	-94.9	0	0	0	0	108.1
123	D	28.5	Very low	28.2	Very low	106 Å²	106	154.8 Å²	154.8	57%	0.567	79%	0.794	S	S	*	*			trans	-68.9	139.3	-167.3	-60.8	-70.5	0	0	0	112.1	K121	K121-D123 VanDerWaalsContact CE-OD1 3.22Å; K121-D123 WeakPolarHBondContact CE-OD1 3.3Å; K121-D123 IonicContact NZ-OD1 2.88Å; K121-D123 PolarHBondContact NZ-OD1 3.28Å; K121-D123 IonicContact NZ-OD2 3.13Å
124	L	25.5	Very low	28.2	Very low	137 Å²	137	150.8 Å²	150.8	72%	0.717	79%	0.792	S	S	*	*				70.4	111	77.1	-122.8	154.5	0	0	0	113.7
125	K	29.5	Very low	28	Very low	207 Å²	207	147.1 Å²	147.1	90%	0.9	79%	0.79	S	S	*	*				-164	116	124.6	-103.3	174.5	-172.7	-174.1	0	111.8
126	Q	27.5	Very low	28.2	Very low	151 Å²	151	148 Å²	148	71%	0.706	79%	0.786	S	S	*	*			trans	-70.1	152.6	161.4	-70.7	166.4	-33.5	0	0	110.4
127	V	28.8	Very low	28.1	Very low	146 Å²	146	145.9 Å²	145.9	89%	0.885	78%	0.781	S	S	*	*			trans	-136.8	122.4	134.9	174.1	0	0	0	0	107.1
128	L	26.4	Very low	27.4	Very low	120 Å²	120	146.3 Å²	146.3	63%	0.628	79%	0.786	S	S	*	*			trans	-73.9	148.8	165.4	-74.9	93	0	0	0	109.4
129	D	28.6	Very low	27.2	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	78%	0.777	S	S	*	*				-175.6	142	103	-92.8	-22.2	0	0	0	112.8
130	S	26.1	Very low	27.3	Very low	89 Å²	89	142 Å²	142	62%	0.622	78%	0.775	S	S	*	*			trans	-70.9	148.7	176.5	38	0	0	0	0	113.3
131	N	29.1	Very low	27.2	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	77%	0.766	S	S	*	*				-168.7	139.7	118.9	-93.3	-23.8	0	0	0	114.3
132	T	25.8	Very low	27.3	Very low	119 Å²	119	135.1 Å²	135.1	73%	0.73	77%	0.766	S	S	*	*			trans	-68.1	152.9	179	-49	0	0	0	0	112.7
133	I	29.2	Very low	27.3	Very low	162 Å²	162	137.6 Å²	137.6	83%	0.831	76%	0.761	S	S	*	*				179.7	114.6	124.1	-84.9	154.4	0	0	0	111.5
134	A	26.8	Very low	27	Very low	96 Å²	96	140.5 Å²	140.5	79%	0.793	78%	0.777	S	S	*	*			trans	48.2	124.9	136.7	0	0	0	0	0	123.4
135	G	25.2	Very low	27	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	78%	0.777	S	S	*	*				119.7	108.2	103.9	0	0	0	0	0	118.1
136	K	31.1	Very low	27	Very low	195 Å²	195	135.8 Å²	135.8	85%	0.848	78%	0.778	S	S	*	*				141.5	111.8	125.1	-78.8	-179.3	174.8	176.6	0	115.3
137	D	27.2	Very low	26.9	Very low	143 Å²	143	136.4 Å²	136.4	77%	0.765	79%	0.785	S	S	*	*				53	109	124.1	-52.2	-27.2	0	0	0	122.5
138	C	21.7	Very low	26.7	Very low	117 Å²	117	137 Å²	137	79%	0.791	78%	0.784	S	S	*	*				41.9	126.9	109.7	-100.9	0	0	0	0	122.9
139	I	24.4	Very low	26.8	Very low	147 Å²	147	135.4 Å²	135.4	75%	0.754	79%	0.788	S	S	*	*			trans	78.6	109.8	150.9	-41.2	169	0	0	0	117.5
140	Q	29	Very low	26.6	Very low	181 Å²	181	134.3 Å²	134.3	85%	0.846	79%	0.788	S	S	*	*				168.7	130	114.8	-87.1	-177	17.7	0	0	110.4
141	S	26.8	Very low	26.6	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	80%	0.801	S	S	*	*			trans	-74.9	154.3	151.2	66.3	0	0	0	0	107.5
142	P	30	Very low	26.3	Very low	101 Å²	101	142.7 Å²	142.7	66%	0.656	80%	0.8	S	S	*	*				-161.9	-177.7	71.8	45.4	-24	0	0	0	117.6
143	K	25.2	Very low	26.2	Very low	185 Å²	185	142 Å²	142	80%	0.804	80%	0.8	S	S	*	*			trans	84.3	112.7	151.8	-70.1	174	-171.6	-178.2	0	120.6
144	N	23.8	Very low	26	Very low	166 Å²	166	141.2 Å²	141.2	89%	0.888	79%	0.793	S	S	*	*				38.9	117.8	124.1	-65.6	-3.7	0	0	0	119
145	G	25.4	Very low	25.9	Very low	71 Å²	71	143.1 Å²	143.1	73%	0.732	80%	0.795	S	S	*	*			trans	149	81.8	153.1	0	0	0	0	0	113.8
146	L	29.5	Very low	26	Very low	174 Å²	174	145.8 Å²	145.8	91%	0.911	79%	0.792	S	S	*	*			trans	-168	63.9	151.3	-103.4	142.8	0	0	0	109.1
147	L	24.6	Very low	25.9	Very low	164 Å²	164	142.1 Å²	142.1	86%	0.859	79%	0.791	S	S	*	*			trans	-109.3	136.2	151.8	-82.5	162.5	0	0	0	105.4
148	N	25.7	Very low	26.3	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	78%	0.775	S	S	*	*			trans	96	74.9	-178.7	-51.6	-16.3	0	0	0	115.2
149	A	26.7	Very low	27.2	Very low	86 Å²	86	136.5 Å²	136.5	71%	0.711	76%	0.761	S	S	*	*			trans	-103.9	124.9	143.2	0	0	0	0	0	107.3	F151	A149-F151 PolarHBondContact O-N 3.33Å
150	P	26.2	Very low	28.4	Very low	124 Å²	124	132.7 Å²	132.7	81%	0.805	75%	0.747	S	S	*	*			trans	-70.4	127.4	178.8	28.8	-30	0	0	0	108.5	R152	P150-R152 VanDerWaalsContact C-N 3.33Å; P150-R152 PolarHBondContact O-N 2.9Å
151	F	24.4	Very low	29.4	Very low	204 Å²	204	132.1 Å²	132.1	90%	0.895	74%	0.742	S	S	*	*			trans	-60.9	99	167	-107.6	-93.7	0	0	0	107.8	A149 S153	A149-F151 PolarHBondContact O-N 3.33Å; F151-S153 PolarHBondContact O-N 3.16Å
152	R	23.7	Very low	30.4	Very low	222 Å²	222	132.8 Å²	132.8	84%	0.838	73%	0.733	S	S	*	*			trans	-66.2	101.7	168.3	-146.7	178	-169.3	171.9	2.4	106.1	P150 E154	P150-R152 VanDerWaalsContact C-N 3.33Å; P150-R152 PolarHBondContact O-N 2.9Å; R152-E154 PolarHBondContact O-N 2.9Å
153	S	24	Very low	31.7	Very low	105 Å²	105	130.2 Å²	130.2	73%	0.734	71%	0.713	S	S	*	*			trans	-68.6	86.2	167.1	-67.8	0	0	0	0	107.9	F151 T155	F151-S153 PolarHBondContact O-N 3.16Å; S153-T155 VanDerWaalsContact C-N 3.32Å; S153-T155 PolarHBondContact O-N 3.27Å
154	E	24.6	Very low	33.3	Very low	145 Å²	145	123.4 Å²	123.4	68%	0.678	69%	0.687	S	S	*	*			trans	-62.1	103.8	156.8	-78.5	179	178	0	0	106.8	R152 L156	R152-E154 PolarHBondContact O-N 2.9Å; E154-L156 PolarHBondContact O-N 3.38Å
155	T	24.9	Very low	35	Very low	137 Å²	137	118.1 Å²	118.1	84%	0.84	66%	0.663	S	S	*	*			trans	-66.1	66	164.7	39.3	0	0	0	0	108.9	S153 S157	S153-T155 VanDerWaalsContact C-N 3.32Å; S153-T155 PolarHBondContact O-N 3.27Å; T155-S157 PolarHBondContact O-N 3.22Å
156	L	27.2	Very low	37.5	Very low	128 Å²	128	117.4 Å²	117.4	67%	0.67	65%	0.647	S	S	*	*			trans	-61.3	121.6	160.6	-79.5	158.8	0	0	0	106.3	E154 V158	E154-L156 PolarHBondContact O-N 3.38Å; L156-V158 WeakPolarHBondContact O-CG2 3.47Å; L156-V158 PolarHBondContact O-N 2.73Å
157	S	29.7	Very low	40.2	Very low	119 Å²	119	109.2 Å²	109.2	83%	0.832	60%	0.604	S	S	*	*			trans	-60.3	86.2	173.7	59.2	0	0	0	0	109.1	T155 S159	T155-S157 PolarHBondContact O-N 3.22Å; S157-S159 PolarHBondContact O-N 2.93Å
158	V	34.4	Very low	43.5	Very low	73 Å²	73	102.6 Å²	102.6	44%	0.442	57%	0.57	S	S	.	*			trans	-64.1	112.5	176.3	-178.4	0	0	0	0	106.5	L156 S160 Q162 I163	L156-V158 WeakPolarHBondContact O-CG2 3.47Å; L156-V158 PolarHBondContact O-N 2.73Å; V158-S160 PolarHBondContact O-N 3.48Å; V158-Q162 HydrophobicContact CG1-CB 3.47Å; V158-Q162 VanDerWaalsContact CG1-CB 3.47Å; V158-I163 HydrophobicContact CB-CD1 4.37Å; V158-I163 HydrophobicContact CB-CG1 4.19Å; V158-I163 HydrophobicContact CG1-CD1 4.37Å; V158-I163 HydrophobicContact CG1-CG1 3.67Å
159	S	40.7	Very low	46.8	Very low	69 Å²	69	95 Å²	95	48%	0.483	53%	0.529	S	S	.	.			trans	-49.4	137.8	176.6	174.9	0	0	0	0	109.9	S157 K161 Q162	S157-S159 PolarHBondContact O-N 2.93Å; S159-K161 PolarHBondContact O-N 3.49Å; S159-Q162 PolarHBondContact O-N 3.17Å
160	S	50.8	Low	50.1	Low	66 Å²	66	93.6 Å²	93.6	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-50.8	-25.2	179.3	-45.2	0	0	0	0	113.3	V158 T164	V158-S160 PolarHBondContact O-N 3.48Å; S160-T164 WeakPolarHBondContact O-CG2 3.42Å; S160-T164 PolarHBondContact O-N 3.09Å; S160-T164 VanDerWaalsContact O-N 3.15Å; S160-T164 PolarHBondContact O-OG1 3.23Å
161	K	48.9	Very low	53.4	Low	169 Å²	169	93.4 Å²	93.4	74%	0.735	50%	0.496	S	S	*	.	H	α-helix	trans	-67.6	-35.6	173.5	-73.1	-178.8	178.5	175.1	0	114	S159 T164 S165	S159-K161 PolarHBondContact O-N 3.49Å; K161-T164 WeakPolarHBondContact CA-OG1 3.26Å; K161-T164 PolarHBondContact O-OG1 3.02Å; K161-S165 WeakPolarHBondContact O-CB 3.35Å; K161-S165 PolarHBondContact O-N 3.43Å; K161-S165 VanDerWaalsContact O-N 3.17Å
162	Q	48.4	Very low	56.7	Low	121 Å²	121	85.9 Å²	85.9	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-71.4	-43.2	177.4	-89.5	174.6	-21	0	0	111.2	V158 S159 T164 S165 S166	V158-Q162 HydrophobicContact CG1-CB 3.47Å; V158-Q162 VanDerWaalsContact CG1-CB 3.47Å; S159-Q162 PolarHBondContact O-N 3.17Å; Q162-T164 PolarHBondContact O-N 3.33Å; Q162-S165 PolarHBondContact O-N 2.71Å; Q162-S165 PolarHBondContact O-OG 3.49Å; Q162-S166 PolarHBondContact O-N 2.95Å
163	I	57.6	Low	60.2	Low	47 Å²	47	75.3 Å²	75.3	24%	0.241	42%	0.423	C	S	.	.	H	α-helix	trans	-61.5	-43.3	177.1	-58.5	173.9	0	0	0	111.4	V158 S165 S166 L167	V158-I163 HydrophobicContact CB-CD1 4.37Å; V158-I163 HydrophobicContact CB-CG1 4.19Å; V158-I163 HydrophobicContact CG1-CD1 4.37Å; V158-I163 HydrophobicContact CG1-CG1 3.67Å; I163-S165 VanDerWaalsContact C-N 3.31Å; I163-S165 PolarHBondContact O-N 2.8Å; I163-S166 PolarHBondContact O-N 2.91Å; I163-S166 PolarHBondContact O-OG 2.87Å; I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 PolarHBondContact O-N 3.01Å
164	T	57.5	Low	63.6	Low	43 Å²	43	73 Å²	73	26%	0.264	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-31.2	177.6	49.3	0	0	0	0	112.6	S160 K161 Q162 F648 E678	S160-T164 WeakPolarHBondContact O-CG2 3.42Å; S160-T164 PolarHBondContact O-N 3.09Å; S160-T164 VanDerWaalsContact O-N 3.15Å; S160-T164 PolarHBondContact O-OG1 3.23Å; K161-T164 WeakPolarHBondContact CA-OG1 3.26Å; K161-T164 PolarHBondContact O-OG1 3.02Å; Q162-T164 PolarHBondContact O-N 3.33Å; T164-F648 HydrophobicContact CG2-CD2 4.22Å; T164-E678 HydrophobicContact CG2-CG 4.08Å; T164-E678 WeakPolarHBondContact CG2-OE1 3.07Å
165	S	61	Low	66.9	Low	54 Å²	54	71.6 Å²	71.6	38%	0.378	40%	0.395	S	S	.	.	H	α-helix	trans	-70.4	-36.5	174.6	80.3	0	0	0	0	112.7	K161 Q162 I163 L167	K161-S165 WeakPolarHBondContact O-CB 3.35Å; K161-S165 PolarHBondContact O-N 3.43Å; K161-S165 VanDerWaalsContact O-N 3.17Å; Q162-S165 PolarHBondContact O-N 2.71Å; Q162-S165 PolarHBondContact O-OG 3.49Å; I163-S165 VanDerWaalsContact C-N 3.31Å; I163-S165 PolarHBondContact O-N 2.8Å; S165-L167 VanDerWaalsContact C-N 3.33Å
166	S	76.6	Confident	70.3	Confident	56 Å²	56	65.7 Å²	65.7	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-73.2	-25.6	179	65.2	0	0	0	0	112.7	Q162 I163 N168 Q172	Q162-S166 PolarHBondContact O-N 2.95Å; I163-S166 PolarHBondContact O-N 2.91Å; I163-S166 PolarHBondContact O-OG 2.87Å; S166-N168 VanDerWaalsContact C-N 3.34Å; S166-Q172 VanDerWaalsContact O-CD 3.28Å; S166-Q172 PolarHBondContact O-NE2 3.28Å
167	L	87.5	Confident	73.5	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.016	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	17	178.3	-74.2	163	0	0	0	114.4	I163 S165 P169 D545 E546 R569 F648	I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 PolarHBondContact O-N 3.01Å; S165-L167 VanDerWaalsContact C-N 3.33Å; L167-P169 VanDerWaalsContact O-CD 3.24Å; L167-P169 WeakPolarHBondContact O-CD 3.49Å; L167-D545 HydrophobicContact CD2-CB 4.1Å; L167-E546 HydrophobicContact CD2-CG 3.51Å; L167-R569 PolarHBondContact O-NH2 3.32Å; L167-F648 HydrophobicContact CB-CE2 4.18Å; L167-F648 HydrophobicContact CB-CZ 4.46Å; L167-F648 HydrophobicContact CD1-CZ 4.44Å
168	N	93.7	Very high	76.6	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.134	30%	0.301	C	S	.	.			trans	-97.7	102.9	178.7	-176.4	-32.5	0	0	0	110.9	S166 L170 K171 Q172 P646	S166-N168 VanDerWaalsContact C-N 3.34Å; N168-L170 VanDerWaalsContact C-N 3.28Å; N168-L170 PolarHBondContact O-N 2.8Å; N168-L170 WeakPolarHBondContact OD1-CB 3.27Å; N168-L170 PolarHBondContact OD1-N 2.87Å; N168-K171 HydrophobicContact CB-CB 4.1Å; N168-K171 HydrophobicContact CB-CD 4.23Å; N168-K171 HydrophobicContact CB-CG 4.24Å; N168-K171 PolarHBondContact O-N 3.48Å; N168-K171 VanDerWaalsContact O-N 3.15Å; N168-K171 PolarHBondContact OD1-N 3.01Å; N168-K171 VanDerWaalsContact OD1-N 3.12Å; N168-Q172 WeakPolarHBondContact O-CG 3.46Å; N168-Q172 PolarHBondContact O-N 2.8Å; N168-P646 WeakPolarHBondContact ND2-CG 3.49Å; N168-P646 WeakPolarHBondContact OD1-CG 3.31Å
169	P	94.3	Very high	79.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-29.2	-176.4	24.3	-35.8	0	0	0	113.9	L167 G173 L284 E287 Y645	L167-P169 VanDerWaalsContact O-CD 3.24Å; L167-P169 WeakPolarHBondContact O-CD 3.49Å; P169-G173 PolarHBondContact O-N 2.97Å; P169-L284 HydrophobicContact CB-CD2 4.03Å; P169-E287 HydrophobicContact CB-CG 4.4Å; P169-Y645 HydrophobicContact CG-CE2 4.27Å; P169-Y645 WeakPolarHBondContact CG-OH 3.5Å
170	L	95.5	Very high	81.8	Confident	56 Å²	56	53.6 Å²	53.6	29%	0.293	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-43.3	176	-61.7	179.7	0	0	0	111.3	N168 G173 E174 E287 Y645 P646	N168-L170 VanDerWaalsContact C-N 3.28Å; N168-L170 PolarHBondContact O-N 2.8Å; N168-L170 WeakPolarHBondContact OD1-CB 3.27Å; N168-L170 PolarHBondContact OD1-N 2.87Å; L170-G173 PolarHBondContact O-N 3.21Å; L170-E174 PolarHBondContact O-N 2.71Å; L170-E287 HydrophobicContact CD2-CB 4.2Å; L170-E287 WeakPolarHBondContact CD2-O 3.18Å; L170-Y645 HydrophobicContact CD1-CD1 4.44Å; L170-Y645 HydrophobicContact CD1-CE1 4.13Å; L170-Y645 HydrophobicContact CD2-CE1 4.28Å; L170-Y645 HydrophobicContact CG-CE1 4.05Å; L170-P646 HydrophobicContact CD1-CG 3.95Å; L170-P646 HydrophobicContact CG-CG 4.36Å
171	K	95.4	Very high	83.8	Confident	119 Å²	119	50.5 Å²	50.5	52%	0.517	25%	0.249	S	C	.	.	H	α-helix	trans	-68.4	-39.2	175.6	-72.1	-173.9	175.8	-174.2	0	111.6	N168 E174 Q175	N168-K171 HydrophobicContact CB-CB 4.1Å; N168-K171 HydrophobicContact CB-CD 4.23Å; N168-K171 HydrophobicContact CB-CG 4.24Å; N168-K171 PolarHBondContact O-N 3.48Å; N168-K171 VanDerWaalsContact O-N 3.15Å; N168-K171 PolarHBondContact OD1-N 3.01Å; N168-K171 VanDerWaalsContact OD1-N 3.12Å; K171-E174 PolarHBondContact O-N 3.12Å; K171-Q175 WeakPolarHBondContact O-CB 3.12Å; K171-Q175 PolarHBondContact O-N 3.33Å
172	Q	95.1	Very high	85.8	Confident	46 Å²	46	47.3 Å²	47.3	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-43.1	174.9	-70.9	174.8	-45.6	0	0	111.3	S166 N168 Q175 L176 L284	S166-Q172 VanDerWaalsContact O-CD 3.28Å; S166-Q172 PolarHBondContact O-NE2 3.28Å; N168-Q172 WeakPolarHBondContact O-CG 3.46Å; N168-Q172 PolarHBondContact O-N 2.8Å; Q172-Q175 PolarHBondContact O-N 2.95Å; Q172-L176 WeakPolarHBondContact O-CB 3.47Å; Q172-L176 PolarHBondContact O-N 3.47Å; Q172-L284 HydrophobicContact CB-CD1 3.93Å; Q172-L284 HydrophobicContact CB-CD2 3.83Å; Q172-L284 HydrophobicContact CB-CG 4.46Å
173	G	95.6	Very high	87.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-41.8	174.7	0	0	0	0	0	113.2	P169 L170 L176 L177 L284	P169-G173 PolarHBondContact O-N 2.97Å; L170-G173 PolarHBondContact O-N 3.21Å; G173-L176 PolarHBondContact O-N 3.4Å; G173-L177 WeakPolarHBondContact O-CB 3.43Å; G173-L177 PolarHBondContact O-N 3.14Å; G173-L284 WeakPolarHBondContact CA-O 3.3Å
174	E	96.4	Very high	89.5	Confident	58 Å²	58	46 Å²	46	27%	0.271	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-45.6	173.1	-170.5	-170.9	154.8	0	0	111.6	L170 K171 L177 K178 L186 Y288	L170-E174 PolarHBondContact O-N 2.71Å; K171-E174 PolarHBondContact O-N 3.12Å; E174-L177 PolarHBondContact O-N 3.33Å; E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 2.6Å; E174-K178 VanDerWaalsContact OE1-CE 3.27Å; E174-K178 WeakPolarHBondContact OE1-CE 3.43Å; E174-K178 IonicContact OE1-NZ 2.65Å; E174-K178 PolarHBondContact OE1-NZ 2.93Å; E174-L186 HydrophobicContact CG-CD2 3.79Å; E174-Y288 HydrophobicContact CB-CD2 3.82Å; E174-Y288 HydrophobicContact CB-CE2 3.59Å; E174-Y288 HydrophobicContact CG-CD2 4.5Å; E174-Y288 HydrophobicContact CG-CE2 3.79Å
175	Q	94.8	Very high	91.4	Very high	115 Å²	115	46.3 Å²	46.3	54%	0.537	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-40.6	179.4	-173.5	59.1	32.2	0	0	111.9	K171 Q172 L177 K178 E179	K171-Q175 WeakPolarHBondContact O-CB 3.12Å; K171-Q175 PolarHBondContact O-N 3.33Å; Q172-Q175 PolarHBondContact O-N 2.95Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 2.91Å; Q175-K178 WeakPolarHBondContact O-CB 3.36Å; Q175-K178 PolarHBondContact O-N 2.64Å; Q175-E179 PolarHBondContact O-N 3.03Å
176	L	94.6	Very high	93	Very high	12 Å²	12	44 Å²	44	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-41.3	174.6	177.8	61.4	0	0	0	111.2	Q172 G173 K178 E179 I180 W211 R281 L284 L285	Q172-L176 WeakPolarHBondContact O-CB 3.47Å; Q172-L176 PolarHBondContact O-N 3.47Å; G173-L176 PolarHBondContact O-N 3.4Å; L176-K178 VanDerWaalsContact C-N 3.33Å; L176-K178 PolarHBondContact O-N 2.98Å; L176-E179 WeakPolarHBondContact O-CB 3.46Å; L176-E179 PolarHBondContact O-N 3.23Å; L176-I180 HydrophobicContact CD1-CD1 4.47Å; L176-I180 HydrophobicContact CG-CD1 4.18Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.32Å; L176-I180 PolarHBondContact O-N 3.31Å; L176-W211 HydrophobicContact CD1-CH2 4.3Å; L176-W211 HydrophobicContact CD1-CZ2 3.91Å; L176-W211 HydrophobicContact CD2-CH2 4.32Å; L176-R281 HydrophobicContact CD1-CG 4.42Å; L176-R281 HydrophobicContact CD2-CB 3.83Å; L176-R281 HydrophobicContact CD2-CG 4.14Å; L176-R281 WeakPolarHBondContact CD2-O 3.47Å; L176-L284 HydrophobicContact CD2-CB 4.2Å; L176-L284 HydrophobicContact CD2-CD1 4.42Å; L176-L285 HydrophobicContact CD2-CD2 4.13Å; L176-L285 HydrophobicContact CD2-CG 3.95Å; L176-L285 HydrophobicContact CG-CD2 4.23Å
177	L	95.3	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-37.2	176.1	-176.2	59.9	0	0	0	111.9	G173 E174 Q175 I180 L181 L186 F190 L285 Y288 F289 F317	G173-L177 WeakPolarHBondContact O-CB 3.43Å; G173-L177 PolarHBondContact O-N 3.14Å; E174-L177 PolarHBondContact O-N 3.33Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 2.91Å; L177-I180 PolarHBondContact O-N 3.2Å; L177-L181 HydrophobicContact CD1-CD1 3.95Å; L177-L181 HydrophobicContact CD1-CG 4.25Å; L177-L181 HydrophobicContact CG-CD1 3.93Å; L177-L181 WeakPolarHBondContact O-CB 3.32Å; L177-L181 WeakPolarHBondContact O-CG 3.4Å; L177-L181 PolarHBondContact O-N 3.29Å; L177-L186 HydrophobicContact CD2-CD1 3.54Å; L177-L186 HydrophobicContact CG-CD1 3.71Å; L177-F190 HydrophobicContact CD2-CE2 4.22Å; L177-F190 HydrophobicContact CD2-CZ 4.02Å; L177-L285 HydrophobicContact CB-CD2 4.13Å; L177-Y288 HydrophobicContact CD2-CD1 4.01Å; L177-Y288 HydrophobicContact CD2-CE1 3.62Å; L177-F289 HydrophobicContact CD1-CE2 4.33Å; L177-F289 HydrophobicContact CD1-CZ 4.5Å; L177-F289 HydrophobicContact CD2-CE2 3.65Å; L177-F289 HydrophobicContact CD2-CZ 3.72Å; L177-F317 HydrophobicContact CD1-CE2 4.39Å; L177-F317 HydrophobicContact CD1-CZ 4.25Å
178	K	94.4	Very high	94.4	Very high	73 Å²	73	51.1 Å²	51.1	32%	0.317	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-45.1	171.7	-71.4	172.5	-175.2	168.6	0	111.6	E174 Q175 L176 I180 L181 E182 L186	E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 2.6Å; E174-K178 VanDerWaalsContact OE1-CE 3.27Å; E174-K178 WeakPolarHBondContact OE1-CE 3.43Å; E174-K178 IonicContact OE1-NZ 2.65Å; E174-K178 PolarHBondContact OE1-NZ 2.93Å; Q175-K178 WeakPolarHBondContact O-CB 3.36Å; Q175-K178 PolarHBondContact O-N 2.64Å; L176-K178 VanDerWaalsContact C-N 3.33Å; L176-K178 PolarHBondContact O-N 2.98Å; K178-I180 VanDerWaalsContact C-N 3.31Å; K178-I180 PolarHBondContact O-N 3.46Å; K178-L181 PolarHBondContact O-N 3.39Å; K178-E182 PolarHBondContact O-N 2.85Å; K178-L186 HydrophobicContact CG-CB 4.19Å; K178-L186 HydrophobicContact CG-CD2 4.17Å
179	E	92.1	Very high	94.6	Very high	62 Å²	62	50 Å²	50	29%	0.29	25%	0.25	S	S	.	.	H	α-helix	trans	-60.4	-40.1	175.3	-174.3	-170.1	151.9	0	0	111.6	Q175 L176 L181 R203 C208	Q175-E179 PolarHBondContact O-N 3.03Å; L176-E179 WeakPolarHBondContact O-CB 3.46Å; L176-E179 PolarHBondContact O-N 3.23Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-L181 PolarHBondContact O-N 2.98Å; E179-R203 PolarHBondContact O-NH2 3.29Å; E179-C208 HydrophobicContact CG-CB 4.42Å
180	I	92.5	Very high	94.7	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-37.4	176.1	-68.5	165.9	0	0	0	111.4	L176 L177 K178 R203 W211 L285 L353	L176-I180 HydrophobicContact CD1-CD1 4.47Å; L176-I180 HydrophobicContact CG-CD1 4.18Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.32Å; L176-I180 PolarHBondContact O-N 3.31Å; L177-I180 PolarHBondContact O-N 3.2Å; K178-I180 VanDerWaalsContact C-N 3.31Å; K178-I180 PolarHBondContact O-N 3.46Å; I180-R203 PolarHBondContact O-NH2 2.84Å; I180-W211 HydrophobicContact CD1-CH2 3.91Å; I180-W211 HydrophobicContact CD1-CZ2 3.6Å; I180-W211 HydrophobicContact CG1-CZ2 3.74Å; I180-L285 HydrophobicContact CD1-CD1 3.96Å; I180-L285 HydrophobicContact CD1-CD2 4.24Å; I180-L353 HydrophobicContact CG2-CD1 4.19Å; I180-L353 HydrophobicContact CG2-CD2 3.99Å; I180-L353 WeakPolarHBondContact O-CD2 3.34Å
181	L	93	Very high	94.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-90.9	-13.8	-173.2	-69.5	171.3	0	0	0	114.8	L177 K178 E179 I184 L186 F189 L199 F317 L353	L177-L181 HydrophobicContact CD1-CD1 3.95Å; L177-L181 HydrophobicContact CD1-CG 4.25Å; L177-L181 HydrophobicContact CG-CD1 3.93Å; L177-L181 WeakPolarHBondContact O-CB 3.32Å; L177-L181 WeakPolarHBondContact O-CG 3.4Å; L177-L181 PolarHBondContact O-N 3.29Å; K178-L181 PolarHBondContact O-N 3.39Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-L181 PolarHBondContact O-N 2.98Å; L181-I184 WeakPolarHBondContact O-CB 3.39Å; L181-I184 PolarHBondContact O-N 2.8Å; L181-L186 HydrophobicContact CD1-CD1 3.67Å; L181-F189 HydrophobicContact CD1-CB 3.85Å; L181-F189 HydrophobicContact CD1-CD1 3.72Å; L181-F189 HydrophobicContact CD1-CD2 4.26Å; L181-F189 HydrophobicContact CD1-CE1 4.36Å; L181-F189 HydrophobicContact CD1-CG 3.66Å; L181-F189 HydrophobicContact CD2-CD2 3.8Å; L181-F189 HydrophobicContact CD2-CE2 4.11Å; L181-F189 HydrophobicContact CD2-CG 4.07Å; L181-L199 HydrophobicContact CD2-CD2 4.48Å; L181-F317 HydrophobicContact CD2-CE1 3.96Å; L181-F317 HydrophobicContact CD2-CZ 4.43Å; L181-L353 HydrophobicContact CD2-CD2 3.96Å
182	E	90.3	Very high	94.7	Very high	103 Å²	103	54.5 Å²	54.5	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	131.6	-176.7	-169.9	-179.2	-175.8	0	0	112.4	K178 V201 R203	K178-E182 PolarHBondContact O-N 2.85Å; E182-V201 WeakPolarHBondContact O-CG1 3.3Å; E182-R203 PolarHBondContact O-NE 3.15Å; E182-R203 PolarHBondContact O-NH2 2.83Å
183	P	91.7	Very high	94.7	Very high	101 Å²	101	52.9 Å²	52.9	66%	0.656	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.4	9.3	8.7	37	-37.8	0	0	0	115.6	A185	P183-A185 PolarHBondContact O-N 3.27Å
184	I	93.3	Very high	94.8	Very high	40 Å²	40	55 Å²	55	21%	0.205	27%	0.269	C	S	.	.	S	Bend	trans	-73.3	127.1	-178.4	-53.7	-58.3	0	0	0	110	L181 E188 F189 L199 V201	L181-I184 WeakPolarHBondContact O-CB 3.39Å; L181-I184 PolarHBondContact O-N 2.8Å; I184-E188 HydrophobicContact CG2-CB 4.45Å; I184-F189 HydrophobicContact CG2-CB 4.35Å; I184-L199 HydrophobicContact CG1-CD1 4.35Å; I184-L199 HydrophobicContact CG1-CD2 4.24Å; I184-L199 HydrophobicContact CG2-CD2 4.26Å; I184-V201 HydrophobicContact CG1-CG1 4.32Å; I184-V201 HydrophobicContact CG1-CG2 3.78Å
185	A	95.5	Very high	94.6	Very high	48 Å²	48	57 Å²	57	40%	0.397	28%	0.279	S	S	.	.			trans	-65	143	176.6	0	0	0	0	0	110.9	P183 E187 E188 F189	P183-A185 PolarHBondContact O-N 3.27Å; A185-E187 VanDerWaalsContact C-N 3.31Å; A185-E187 PolarHBondContact O-N 3.04Å; A185-E188 HydrophobicContact CB-CB 4.21Å; A185-E188 WeakPolarHBondContact O-CB 3.27Å; A185-E188 PolarHBondContact O-N 3.37Å; A185-E188 VanDerWaalsContact O-N 3.12Å; A185-F189 PolarHBondContact O-N 2.85Å
186	L	95.9	Very high	94.5	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-40.3	-175.1	-172.8	61.4	0	0	0	112.1	E174 L177 K178 L181 E188 F189 F190	E174-L186 HydrophobicContact CG-CD2 3.79Å; L177-L186 HydrophobicContact CD2-CD1 3.54Å; L177-L186 HydrophobicContact CG-CD1 3.71Å; K178-L186 HydrophobicContact CG-CB 4.19Å; K178-L186 HydrophobicContact CG-CD2 4.17Å; L181-L186 HydrophobicContact CD1-CD1 3.67Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.44Å; L186-F189 PolarHBondContact O-N 3.25Å; L186-F190 HydrophobicContact CD1-CD2 4.04Å; L186-F190 HydrophobicContact CD1-CE2 3.56Å; L186-F190 HydrophobicContact CD1-CZ 4.48Å; L186-F190 HydrophobicContact CD2-CE2 4.33Å; L186-F190 HydrophobicContact CG-CD2 3.98Å; L186-F190 HydrophobicContact CG-CE2 3.77Å; L186-F190 VanDerWaalsContact O-CD2 3.26Å; L186-F190 WeakPolarHBondContact O-CD2 3.34Å; L186-F190 PolarHBondContact O-N 3.18Å; L186-F190 VanDerWaalsContact O-N 3.12Å
187	E	96.8	Very high	94.5	Very high	124 Å²	124	59.1 Å²	59.1	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-64.1	-38.7	177.3	-66	68.7	-152	0	0	111.6	A185 R191	A185-E187 VanDerWaalsContact C-N 3.31Å; A185-E187 PolarHBondContact O-N 3.04Å; E187-R191 WeakPolarHBondContact O-CB 3.24Å; E187-R191 PolarHBondContact O-N 3.34Å
188	E	96.5	Very high	94.5	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.393	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-46.9	177	-175.1	177.3	177.8	0	0	110.8	I184 A185 L186 F190 R191 V192	I184-E188 HydrophobicContact CG2-CB 4.45Å; A185-E188 HydrophobicContact CB-CB 4.21Å; A185-E188 WeakPolarHBondContact O-CB 3.27Å; A185-E188 PolarHBondContact O-N 3.37Å; A185-E188 VanDerWaalsContact O-N 3.12Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.44Å; E188-F190 PolarHBondContact O-N 3.28Å; E188-R191 PolarHBondContact O-N 3.02Å; E188-V192 HydrophobicContact CG-CG2 4.15Å; E188-V192 WeakPolarHBondContact O-CB 3.44Å; E188-V192 WeakPolarHBondContact O-CG2 3.43Å; E188-V192 PolarHBondContact O-N 3.44Å
189	F	97.2	Very high	94.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-54.4	-51.8	176.3	169.3	-102.9	0	0	0	111.8	L181 I184 A185 L186 R191 N193 Y194 L199 F317 Y355	L181-F189 HydrophobicContact CD1-CB 3.85Å; L181-F189 HydrophobicContact CD1-CD1 3.72Å; L181-F189 HydrophobicContact CD1-CD2 4.26Å; L181-F189 HydrophobicContact CD1-CE1 4.36Å; L181-F189 HydrophobicContact CD1-CG 3.66Å; L181-F189 HydrophobicContact CD2-CD2 3.8Å; L181-F189 HydrophobicContact CD2-CE2 4.11Å; L181-F189 HydrophobicContact CD2-CG 4.07Å; I184-F189 HydrophobicContact CG2-CB 4.35Å; A185-F189 PolarHBondContact O-N 2.85Å; L186-F189 PolarHBondContact O-N 3.25Å; F189-R191 VanDerWaalsContact C-N 3.3Å; F189-R191 PolarHBondContact O-N 3.08Å; F189-N193 HydrophobicContact CD2-CB 3.86Å; F189-N193 HydrophobicContact CE2-CB 4.14Å; F189-N193 PolarHBondContact O-N 3.33Å; F189-Y194 AromaticContact CE1-CD2 3.79Å; F189-Y194 HydrophobicContact CE1-CD2 3.79Å; F189-Y194 HydrophobicContact CE1-CG 4.12Å; F189-Y194 AromaticContact CZ-CD2 3.85Å; F189-Y194 HydrophobicContact CZ-CD2 3.85Å; F189-Y194 HydrophobicContact CZ-CG 4.38Å; F189-Y194 PolarHBondContact O-N 3.27Å; F189-L199 HydrophobicContact CD2-CD2 3.86Å; F189-L199 HydrophobicContact CE2-CD2 4.48Å; F189-F317 HydrophobicContact CE1-CZ 4.3Å; F189-F317 HydrophobicContact CE2-CE1 4.08Å; F189-F317 HydrophobicContact CE2-CZ 4.22Å; F189-F317 AromaticContact CZ-CE1 4Å; F189-F317 HydrophobicContact CZ-CE1 4Å; F189-F317 AromaticContact CZ-CZ 3.67Å; F189-F317 HydrophobicContact CZ-CZ 3.67Å; F189-Y355 AromaticContact CE2-CD1 3.72Å; F189-Y355 HydrophobicContact CE2-CD1 3.72Å; F189-Y355 HydrophobicContact CE2-CD2 4.15Å; F189-Y355 AromaticContact CE2-CE1 3.91Å; F189-Y355 HydrophobicContact CE2-CE1 3.91Å; F189-Y355 HydrophobicContact CE2-CE2 4.34Å; F189-Y355 AromaticContact CE2-CG 3.83Å; F189-Y355 HydrophobicContact CE2-CG 3.83Å; F189-Y355 HydrophobicContact CZ-CD1 4.37Å; F189-Y355 HydrophobicContact CZ-CD2 4.2Å; F189-Y355 HydrophobicContact CZ-CE1 4.23Å; F189-Y355 HydrophobicContact CZ-CE2 4.07Å; F189-Y355 HydrophobicContact CZ-CG 4.34Å
190	F	97	Very high	94.8	Very high	44 Å²	44	58 Å²	58	19%	0.193	29%	0.29	C	S	.	.	I	π-helix	trans	-65.2	-34.3	-179.9	-79.1	-63.1	0	0	0	113.1	L177 L186 E188 Y194 Y288 F289	L177-F190 HydrophobicContact CD2-CE2 4.22Å; L177-F190 HydrophobicContact CD2-CZ 4.02Å; L186-F190 HydrophobicContact CD1-CD2 4.04Å; L186-F190 HydrophobicContact CD1-CE2 3.56Å; L186-F190 HydrophobicContact CD1-CZ 4.48Å; L186-F190 HydrophobicContact CD2-CE2 4.33Å; L186-F190 HydrophobicContact CG-CD2 3.98Å; L186-F190 HydrophobicContact CG-CE2 3.77Å; L186-F190 VanDerWaalsContact O-CD2 3.26Å; L186-F190 WeakPolarHBondContact O-CD2 3.34Å; L186-F190 PolarHBondContact O-N 3.18Å; L186-F190 VanDerWaalsContact O-N 3.12Å; E188-F190 PolarHBondContact O-N 3.28Å; F190-Y194 AromaticContact CD1-CD1 3.65Å; F190-Y194 HydrophobicContact CD1-CD1 3.65Å; F190-Y194 HydrophobicContact CD1-CD2 4.36Å; F190-Y194 HydrophobicContact CD1-CE1 4.23Å; F190-Y194 AromaticContact CD1-CG 3.69Å; F190-Y194 HydrophobicContact CD1-CG 3.69Å; F190-Y194 HydrophobicContact CE1-CD1 4.02Å; F190-Y194 HydrophobicContact CE1-CD2 4.23Å; F190-Y194 HydrophobicContact CE1-CE1 4.21Å; F190-Y194 HydrophobicContact CE1-CE2 4.45Å; F190-Y194 AromaticContact CE1-CG 3.99Å; F190-Y194 HydrophobicContact CE1-CG 3.99Å; F190-Y288 HydrophobicContact CE2-CE1 4.43Å; F190-Y288 HydrophobicContact CZ-CE1 4.21Å; F190-F289 HydrophobicContact CE1-CE1 4.06Å; F190-F289 HydrophobicContact CE1-CZ 4.35Å; F190-F289 HydrophobicContact CZ-CE1 4.12Å; F190-F289 HydrophobicContact CZ-CZ 4.05Å
191	R	96.4	Very high	94.8	Very high	165 Å²	165	58.1 Å²	58.1	62%	0.623	29%	0.292	S	S	*	.	I	π-helix	trans	-74.6	-42	-179.9	-175.1	-178.9	65.3	-165.7	-2.8	112.1	E187 E188 F189 K196	E187-R191 WeakPolarHBondContact O-CB 3.24Å; E187-R191 PolarHBondContact O-N 3.34Å; E188-R191 PolarHBondContact O-N 3.02Å; F189-R191 VanDerWaalsContact C-N 3.3Å; F189-R191 PolarHBondContact O-N 3.08Å; R191-K196 PolarHBondContact O-NZ 3.28Å
192	V	94.8	Very high	94.6	Very high	62 Å²	62	65.5 Å²	65.5	38%	0.376	32%	0.324	S	S	.	.	I	π-helix	trans	-103.7	-45	-166.9	-178.4	0	0	0	0	112.2	E188 K196 T197	E188-V192 HydrophobicContact CG-CG2 4.15Å; E188-V192 WeakPolarHBondContact O-CB 3.44Å; E188-V192 WeakPolarHBondContact O-CG2 3.43Å; E188-V192 PolarHBondContact O-N 3.44Å; V192-K196 WeakPolarHBondContact O-CB 3.41Å; V192-T197 PolarHBondContact O-OG1 2.94Å
193	N	95.7	Very high	94.4	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.064	31%	0.308	C	S	.	.	I	π-helix	trans	-104.8	-46.5	-165.7	-56.6	102	0	0	0	113.2	F189 Q195 K196 T197 L199 Y355	F189-N193 HydrophobicContact CD2-CB 3.86Å; F189-N193 HydrophobicContact CE2-CB 4.14Å; F189-N193 PolarHBondContact O-N 3.33Å; N193-Q195 PolarHBondContact O-N 3.14Å; N193-Q195 VanDerWaalsContact O-N 3.13Å; N193-K196 WeakPolarHBondContact O-CA 3.37Å; N193-K196 PolarHBondContact O-N 2.93Å; N193-T197 PolarHBondContact ND2-OG1 3.29Å; N193-T197 PolarHBondContact O-N 3.37Å; N193-L199 HydrophobicContact CB-CB 4.08Å; N193-L199 HydrophobicContact CB-CD2 4.36Å; N193-Y355 HydrophobicContact CB-CD1 4.33Å; N193-Y355 HydrophobicContact CB-CE1 4.4Å; N193-Y355 WeakPolarHBondContact O-CE1 3.25Å
194	Y	96.1	Very high	93.3	Very high	44 Å²	44	63.9 Å²	63.9	17%	0.173	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	119	-174	-176.9	-113.6	0	0	0	111.9	F189 F190 K196 F289 F381 N382	F189-Y194 AromaticContact CE1-CD2 3.79Å; F189-Y194 HydrophobicContact CE1-CD2 3.79Å; F189-Y194 HydrophobicContact CE1-CG 4.12Å; F189-Y194 AromaticContact CZ-CD2 3.85Å; F189-Y194 HydrophobicContact CZ-CD2 3.85Å; F189-Y194 HydrophobicContact CZ-CG 4.38Å; F189-Y194 PolarHBondContact O-N 3.27Å; F190-Y194 AromaticContact CD1-CD1 3.65Å; F190-Y194 HydrophobicContact CD1-CD1 3.65Å; F190-Y194 HydrophobicContact CD1-CD2 4.36Å; F190-Y194 HydrophobicContact CD1-CE1 4.23Å; F190-Y194 AromaticContact CD1-CG 3.69Å; F190-Y194 HydrophobicContact CD1-CG 3.69Å; F190-Y194 HydrophobicContact CE1-CD1 4.02Å; F190-Y194 HydrophobicContact CE1-CD2 4.23Å; F190-Y194 HydrophobicContact CE1-CE1 4.21Å; F190-Y194 HydrophobicContact CE1-CE2 4.45Å; F190-Y194 AromaticContact CE1-CG 3.99Å; F190-Y194 HydrophobicContact CE1-CG 3.99Å; Y194-K196 WeakPolarHBondContact O-CG 3.45Å; Y194-K196 PolarHBondContact O-N 3.07Å; Y194-K196 VanDerWaalsContact O-N 3.15Å; Y194-F289 HydrophobicContact CE2-CE1 4.08Å; Y194-F381 AromaticContact CE2-CE2 3.76Å; Y194-F381 HydrophobicContact CE2-CE2 3.76Å; Y194-F381 HydrophobicContact CE2-CZ 4.19Å; Y194-N382 PolarHBondContact OH-ND2 2.65Å
195	Q	93.4	Very high	92	Very high	101 Å²	101	64.9 Å²	64.9	47%	0.472	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	17	-175.6	-60.3	-172.8	-11.1	0	0	115.5	N193 D315 Y355 N382	N193-Q195 PolarHBondContact O-N 3.14Å; N193-Q195 VanDerWaalsContact O-N 3.13Å; Q195-D315 PolarHBondContact NE2-OD2 3.19Å; Q195-Y355 PolarHBondContact N-OH 3.38Å; Q195-N382 PolarHBondContact NE2-ND2 3.37Å
196	K	93	Very high	90.3	Very high	108 Å²	108	65.2 Å²	65.2	47%	0.47	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-64.4	-174.4	-67.4	172	-168.7	-179.4	0	112	R191 V192 N193 Y194	R191-K196 PolarHBondContact O-NZ 3.28Å; V192-K196 WeakPolarHBondContact O-CB 3.41Å; N193-K196 WeakPolarHBondContact O-CA 3.37Å; N193-K196 PolarHBondContact O-N 2.93Å; Y194-K196 WeakPolarHBondContact O-CG 3.45Å; Y194-K196 PolarHBondContact O-N 3.07Å; Y194-K196 VanDerWaalsContact O-N 3.15Å
197	T	94	Very high	88.5	Confident	62 Å²	62	73.5 Å²	73.5	38%	0.38	37%	0.366	S	S	.	.	S	Bend	trans	-135.9	145.1	-170.9	57.9	0	0	0	0	111.6	V192 N193	V192-T197 PolarHBondContact O-OG1 2.94Å; N193-T197 PolarHBondContact ND2-OG1 3.29Å; N193-T197 PolarHBondContact O-N 3.37Å
198	P	95.8	Very high	86.3	Confident	38 Å²	38	69 Å²	69	25%	0.247	35%	0.348	C	S	.	.			trans	-58.5	148.1	170.2	-21.5	32.6	0	0	0	111.6	I329 Y355 F360	P198-I329 HydrophobicContact CB-CD1 3.94Å; P198-I329 HydrophobicContact CB-CG2 4.45Å; P198-I329 HydrophobicContact CG-CD1 4.46Å; P198-I329 HydrophobicContact CG-CG2 3.86Å; P198-Y355 CarbonylContact C-O 3.59Å; P198-Y355 VanDerWaalsContact CA-O 3.22Å; P198-Y355 WeakPolarHBondContact CA-O 3.45Å; P198-F360 HydrophobicContact CG-CD1 3.83Å; P198-F360 HydrophobicContact CG-CE1 3.66Å; P198-F360 HydrophobicContact CG-CG 4.44Å; P198-F360 HydrophobicContact CG-CZ 4.19Å
199	L	95.8	Very high	84.4	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.3	178.4	170.3	67.1	0	0	0	109.6	L181 I184 F189 N193 V201 L354 Y355	L181-L199 HydrophobicContact CD2-CD2 4.48Å; I184-L199 HydrophobicContact CG1-CD1 4.35Å; I184-L199 HydrophobicContact CG1-CD2 4.24Å; I184-L199 HydrophobicContact CG2-CD2 4.26Å; F189-L199 HydrophobicContact CD2-CD2 3.86Å; F189-L199 HydrophobicContact CE2-CD2 4.48Å; N193-L199 HydrophobicContact CB-CB 4.08Å; N193-L199 HydrophobicContact CB-CD2 4.36Å; L199-V201 HydrophobicContact CD1-CG2 4.31Å; L199-V201 HydrophobicContact CD2-CG2 3.98Å; L199-V201 HydrophobicContact CG-CG2 3.86Å; L199-L354 CarbonylContact O-C 3.48Å; L199-L354 WeakPolarHBondContact O-CA 3.29Å; L199-Y355 HydrophobicContact CB-CD1 4.33Å; L199-Y355 PolarHBondContact N-O 3.39Å; L199-Y355 PolarHBondContact O-N 3.02Å
200	H	95.3	Very high	83.3	Confident	52 Å²	52	70.3 Å²	70.3	24%	0.241	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.1	170.7	172.4	-149.3	0	0	0	109.7	K202 V346 L348 D352 L353 L354	H200-K202 WeakPolarHBondContact CE1-CE 3.34Å; H200-K202 WeakPolarHBondContact CE1-CG 3.5Å; H200-K202 WeakPolarHBondContact NE2-CG 3.37Å; H200-V346 HydrophobicContact CB-CG1 4.02Å; H200-V346 HydrophobicContact CB-CG2 4.37Å; H200-V346 VanDerWaalsContact CE1-CG1 3.41Å; H200-V346 WeakPolarHBondContact CE1-CG1 3.48Å; H200-V346 VanDerWaalsContact CG-CG1 3.44Å; H200-V346 VanDerWaalsContact ND1-CG1 3.26Å; H200-V346 WeakPolarHBondContact ND1-CG1 3.44Å; H200-L348 VanDerWaalsContact CD2-CD2 3.46Å; H200-L348 WeakPolarHBondContact CD2-CD2 3.37Å; H200-L348 WeakPolarHBondContact NE2-CD2 3.42Å; H200-D352 IonicContact NE2-OD2 2.66Å; H200-L353 WeakPolarHBondContact CA-O 3.42Å; H200-L353 PolarHBondContact CD2-O 2.84Å; H200-L354 HydrophobicContact CB-CD1 4.2Å
201	V	92.9	Very high	82.9	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.03	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.4	176.3	-170.3	0	0	0	0	108.7	E182 I184 L199 D352 L353	E182-V201 WeakPolarHBondContact O-CG1 3.3Å; I184-V201 HydrophobicContact CG1-CG1 4.32Å; I184-V201 HydrophobicContact CG1-CG2 3.78Å; L199-V201 HydrophobicContact CD1-CG2 4.31Å; L199-V201 HydrophobicContact CD2-CG2 3.98Å; L199-V201 HydrophobicContact CG-CG2 3.86Å; V201-D352 WeakPolarHBondContact O-CA 3.43Å; V201-L353 HydrophobicContact CB-CB 4.17Å; V201-L353 HydrophobicContact CG2-CD2 4.18Å; V201-L353 PolarHBondContact N-O 3.31Å; V201-L353 PolarHBondContact O-N 2.9Å
202	K	90.2	Very high	82.6	Confident	155 Å²	155	60.9 Å²	60.9	67%	0.674	32%	0.318	S	S	*	.			trans	-82.6	133.5	175.4	-68.3	178.4	-179.5	173.9	0	110.1	H200 D352	H200-K202 WeakPolarHBondContact CE1-CE 3.34Å; H200-K202 WeakPolarHBondContact CE1-CG 3.5Å; H200-K202 WeakPolarHBondContact NE2-CG 3.37Å; K202-D352 VanDerWaalsContact CA-OD1 3.3Å; K202-D352 WeakPolarHBondContact CA-OD1 3.2Å
203	R	84.5	Confident	82.4	Confident	37 Å²	37	61 Å²	61	14%	0.14	32%	0.317	C	S	.	.			trans	-121	146.9	177.5	-63	-164.6	177.2	167.8	-18	112.1	E179 I180 E182 C208 G351 D352	E179-R203 PolarHBondContact O-NH2 3.29Å; I180-R203 PolarHBondContact O-NH2 2.84Å; E182-R203 PolarHBondContact O-NE 3.15Å; E182-R203 PolarHBondContact O-NH2 2.83Å; R203-C208 PolarHBondContact NH1-O 2.79Å; R203-G351 VanDerWaalsContact CD-O 3.24Å; R203-G351 WeakPolarHBondContact CD-O 3.46Å; R203-D352 PolarHBondContact N-OD1 3.46Å
204	S	69.8	Low	82.3	Confident	132 Å²	132	63.4 Å²	63.4	92%	0.923	33%	0.326	S	S	*	.	S	Bend	trans	-91.1	-19.5	174.5	50.7	0	0	0	0	113.1
205	S	65.8	Low	82	Confident	62 Å²	62	64.3 Å²	64.3	43%	0.434	34%	0.339	S	S	.	.			trans	-124.1	141.4	-178.4	80.7	0	0	0	0	112.4	K207	S205-K207 VanDerWaalsContact C-N 3.3Å; S205-K207 PolarHBondContact O-N 2.99Å
206	S	60.6	Low	81.9	Confident	55 Å²	55	62.7 Å²	62.7	39%	0.385	33%	0.333	S	S	.	.	S	Bend	trans	-75	-15.8	178.1	59.3	0	0	0	0	113.7	C208 G209	S206-C208 PolarHBondContact O-N 2.92Å; S206-G209 WeakPolarHBondContact O-CA 3.41Å; S206-G209 PolarHBondContact O-N 2.78Å
207	K	56.5	Low	81.9	Confident	180 Å²	180	57.6 Å²	57.6	78%	0.783	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.4	-41	-165.4	-74.3	-174.1	176.7	-179.2	0	114.5	S205 G209	S205-K207 VanDerWaalsContact C-N 3.3Å; S205-K207 PolarHBondContact O-N 2.99Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-G209 VanDerWaalsContact O-N 3.12Å
208	C	51.5	Low	81.8	Confident	30 Å²	30	59.2 Å²	59.2	20%	0.203	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-72.9	3.2	175.7	-81.7	0	0	0	0	113.5	E179 R203 S206	E179-C208 HydrophobicContact CG-CB 4.42Å; R203-C208 PolarHBondContact NH1-O 2.79Å; S206-C208 PolarHBondContact O-N 2.92Å
209	G	57	Low	81.7	Confident	3 Å²	3	62.9 Å²	62.9	3%	0.031	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-121	-10.3	-168.2	0	0	0	0	0	115.9	S206 K207 W211 Q321	S206-G209 WeakPolarHBondContact O-CA 3.41Å; S206-G209 PolarHBondContact O-N 2.78Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-G209 VanDerWaalsContact O-N 3.12Å; G209-W211 PolarHBondContact O-N 2.92Å; G209-Q321 VanDerWaalsContact O-CD 3.25Å; G209-Q321 PolarHBondContact O-NE2 3.36Å; G209-Q321 PolarHBondContact O-OE1 3.34Å
210	E	73.6	Confident	81.6	Confident	108 Å²	108	62.4 Å²	62.4	51%	0.505	32%	0.322	S	S	.	.			trans	-78.4	86.4	-175.9	-72.4	-177.4	-168	0	0	112	R277	E210-R277 PolarHBondContact O-NH2 3.01Å
211	W	89.1	Confident	81.5	Confident	5 Å²	5	60 Å²	60	2%	0.019	31%	0.311	C	S	.	.	S	Bend	trans	-94.3	-33.7	171.8	-75.3	61.5	0	0	0	111	L176 I180 G209 L278 R281 V282 L285 L319 L377 I379	L176-W211 HydrophobicContact CD1-CH2 4.3Å; L176-W211 HydrophobicContact CD1-CZ2 3.91Å; L176-W211 HydrophobicContact CD2-CH2 4.32Å; I180-W211 HydrophobicContact CD1-CH2 3.91Å; I180-W211 HydrophobicContact CD1-CZ2 3.6Å; I180-W211 HydrophobicContact CG1-CZ2 3.74Å; G209-W211 PolarHBondContact O-N 2.92Å; W211-L278 HydrophobicContact CB-CD2 4.13Å; W211-L278 HydrophobicContact CD2-CD2 4.47Å; W211-L278 HydrophobicContact CE3-CD2 3.62Å; W211-L278 HydrophobicContact CZ3-CD2 4.45Å; W211-R281 VanDerWaalsContact CE2-NH1 3.31Å; W211-R281 HydrophobicContact CE3-CB 4.36Å; W211-R281 VanDerWaalsContact CG-NH1 3.3Å; W211-R281 HydrophobicContact CH2-CB 3.57Å; W211-R281 HydrophobicContact CH2-CG 4.16Å; W211-R281 HydrophobicContact CZ2-CB 4.46Å; W211-R281 HydrophobicContact CZ3-CB 3.5Å; W211-R281 HydrophobicContact CZ3-CG 4.22Å; W211-R281 VanDerWaalsContact NE1-NH1 3.19Å; W211-V282 HydrophobicContact CZ3-CG1 4.44Å; W211-L285 HydrophobicContact CH2-CD1 4.45Å; W211-L319 HydrophobicContact CD2-CD1 4.3Å; W211-L319 HydrophobicContact CG-CD1 4.37Å; W211-L377 HydrophobicContact CB-CD1 4.04Å; W211-I379 HydrophobicContact CE3-CD1 4.18Å; W211-I379 HydrophobicContact CH2-CD1 3.97Å; W211-I379 HydrophobicContact CZ2-CD1 4.49Å; W211-I379 HydrophobicContact CZ3-CD1 3.8Å
212	L	89.9	Confident	81.6	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.33	C	S	.	.			trans	-150.5	147.7	-173.3	-173.6	66.6	0	0	0	109.3	L216 V217 L271 A297 Q321 L375 L377	L212-L216 HydrophobicContact CD1-CB 4.13Å; L212-L216 HydrophobicContact CD1-CD2 3.5Å; L212-L216 HydrophobicContact CD1-CG 4.29Å; L212-V217 HydrophobicContact CD1-CG2 3.76Å; L212-V217 HydrophobicContact CD2-CG2 3.69Å; L212-V217 HydrophobicContact CG-CG2 3.75Å; L212-L271 HydrophobicContact CD1-CD2 3.73Å; L212-L271 HydrophobicContact CD2-CD2 3.6Å; L212-L271 HydrophobicContact CG-CD2 4.3Å; L212-A297 HydrophobicContact CD2-CB 3.53Å; L212-Q321 HydrophobicContact CB-CG 4.3Å; L212-Q321 PolarHBondContact O-OE1 3.48Å; L212-L375 HydrophobicContact CD2-CD1 4.12Å; L212-L375 HydrophobicContact CD2-CD2 4.24Å; L212-L375 HydrophobicContact CD2-CG 4.45Å; L212-L375 HydrophobicContact CG-CD2 4.12Å; L212-L377 HydrophobicContact CB-CD1 3.97Å; L212-L377 HydrophobicContact CD2-CD1 4.24Å
213	N	91.1	Very high	81.7	Confident	64 Å²	64	63.8 Å²	63.8	34%	0.342	33%	0.331	S	S	.	.			trans	-138.7	164.9	170	61.7	42.3	0	0	0	110	S215 L216 V217 E322	N213-S215 PolarHBondContact O-N 3.25Å; N213-S215 WeakPolarHBondContact OD1-CB 3.44Å; N213-S215 PolarHBondContact OD1-N 3.42Å; N213-L216 WeakPolarHBondContact O-CB 3.45Å; N213-L216 PolarHBondContact O-N 2.86Å; N213-L216 WeakPolarHBondContact OD1-CB 3.39Å; N213-L216 PolarHBondContact OD1-N 3.46Å; N213-V217 PolarHBondContact O-N 2.9Å; N213-E322 WeakPolarHBondContact CA-OE1 3.26Å; N213-E322 VanDerWaalsContact CB-OE1 3.27Å; N213-E322 WeakPolarHBondContact CB-OE1 3.31Å
214	Y	91.7	Very high	82.1	Confident	63 Å²	63	65.7 Å²	65.7	25%	0.247	34%	0.342	C	S	.	.	H	α-helix	trans	-56.8	-37.1	-179.1	-179.2	-91.8	0	0	0	111.8	L216 V217 K218 W257 Y260 L299 E322 H373	Y214-L216 PolarHBondContact O-N 3.34Å; Y214-V217 PolarHBondContact O-N 3.15Å; Y214-K218 HydrophobicContact CE1-CB 4.47Å; Y214-K218 HydrophobicContact CE1-CD 4.33Å; Y214-K218 VanDerWaalsContact O-CB 3.27Å; Y214-K218 WeakPolarHBondContact O-CB 3.45Å; Y214-K218 PolarHBondContact O-N 3.27Å; Y214-W257 HydrophobicContact CE2-CZ3 4.48Å; Y214-Y260 HydrophobicContact CE2-CE1 4.46Å; Y214-L299 HydrophobicContact CD2-CD1 3.72Å; Y214-L299 HydrophobicContact CD2-CD2 3.98Å; Y214-L299 HydrophobicContact CE2-CD1 3.99Å; Y214-L299 HydrophobicContact CE2-CD2 3.74Å; Y214-L299 HydrophobicContact CE2-CG 4.47Å; Y214-E322 WeakPolarHBondContact CB-OE2 3.45Å; Y214-E322 PolarHBondContact N-OE1 3.4Å; Y214-H373 AromaticContact CD2-CD2 3.82Å; Y214-H373 AromaticContact CD2-NE2 3.77Å; Y214-H373 AromaticContact CG-NE2 3.89Å
215	S	91.4	Very high	83.2	Confident	64 Å²	64	66 Å²	66	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40.7	177.1	-173.1	0	0	0	0	112.4	N213 K218 K219	N213-S215 PolarHBondContact O-N 3.25Å; N213-S215 WeakPolarHBondContact OD1-CB 3.44Å; N213-S215 PolarHBondContact OD1-N 3.42Å; S215-K218 PolarHBondContact O-N 2.86Å; S215-K219 WeakPolarHBondContact O-CG 3.46Å; S215-K219 PolarHBondContact O-N 2.98Å
216	L	90.1	Very high	84.5	Confident	67 Å²	67	63.1 Å²	63.1	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-45.3	176.8	-162.7	84.5	0	0	0	110.9	L212 N213 Y214 K218 K219 L220	L212-L216 HydrophobicContact CD1-CB 4.13Å; L212-L216 HydrophobicContact CD1-CD2 3.5Å; L212-L216 HydrophobicContact CD1-CG 4.29Å; N213-L216 WeakPolarHBondContact O-CB 3.45Å; N213-L216 PolarHBondContact O-N 2.86Å; N213-L216 WeakPolarHBondContact OD1-CB 3.39Å; N213-L216 PolarHBondContact OD1-N 3.46Å; Y214-L216 PolarHBondContact O-N 3.34Å; L216-K218 PolarHBondContact O-N 3.49Å; L216-K219 PolarHBondContact O-N 2.93Å; L216-L220 WeakPolarHBondContact O-CB 3.46Å; L216-L220 PolarHBondContact O-N 3.13Å
217	V	92.6	Very high	86.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-42.8	174.7	175	0	0	0	0	110.3	L212 N213 Y214 L220 V221 F268 L299 L375	L212-V217 HydrophobicContact CD1-CG2 3.76Å; L212-V217 HydrophobicContact CD2-CG2 3.69Å; L212-V217 HydrophobicContact CG-CG2 3.75Å; N213-V217 PolarHBondContact O-N 2.9Å; Y214-V217 PolarHBondContact O-N 3.15Å; V217-L220 WeakPolarHBondContact O-CB 3.48Å; V217-L220 PolarHBondContact O-N 2.97Å; V217-V221 WeakPolarHBondContact O-CG2 3.37Å; V217-V221 PolarHBondContact O-N 2.91Å; V217-F268 HydrophobicContact CG1-CD2 4.24Å; V217-F268 HydrophobicContact CG1-CE1 4.42Å; V217-F268 HydrophobicContact CG1-CE2 3.35Å; V217-F268 HydrophobicContact CG1-CZ 3.47Å; V217-F268 VanDerWaalsContact CG1-CZ 3.47Å; V217-L299 HydrophobicContact CG1-CD2 4.04Å; V217-L375 HydrophobicContact CG2-CD1 4.17Å; V217-L375 HydrophobicContact CG2-CD2 4.34Å
218	K	93.4	Very high	87.9	Confident	95 Å²	95	56.9 Å²	56.9	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-51	177.9	-173.4	177.3	178.7	-176.1	0	111.8	Y214 S215 L216 L220 V221 D222 W257	Y214-K218 HydrophobicContact CE1-CB 4.47Å; Y214-K218 HydrophobicContact CE1-CD 4.33Å; Y214-K218 VanDerWaalsContact O-CB 3.27Å; Y214-K218 WeakPolarHBondContact O-CB 3.45Å; Y214-K218 PolarHBondContact O-N 3.27Å; S215-K218 PolarHBondContact O-N 2.86Å; L216-K218 PolarHBondContact O-N 3.49Å; K218-L220 PolarHBondContact O-N 3.2Å; K218-V221 PolarHBondContact O-N 2.8Å; K218-D222 WeakPolarHBondContact O-CB 3.31Å; K218-D222 PolarHBondContact O-N 2.94Å; K218-W257 HydrophobicContact CB-CH2 4.42Å; K218-W257 HydrophobicContact CB-CZ2 4.13Å; K218-W257 HydrophobicContact CG-CH2 4.49Å; K218-W257 HydrophobicContact CG-CZ2 3.88Å
219	K	93.9	Very high	89.7	Confident	115 Å²	115	57.7 Å²	57.7	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-58	-37	175.8	-74.1	173.2	-178.1	177.2	0	112.6	S215 L216 D222 K223	S215-K219 WeakPolarHBondContact O-CG 3.46Å; S215-K219 PolarHBondContact O-N 2.98Å; L216-K219 PolarHBondContact O-N 2.93Å; K219-D222 PolarHBondContact O-N 2.76Å; K219-K223 VanDerWaalsContact O-CB 3.3Å; K219-K223 WeakPolarHBondContact O-CB 3.03Å; K219-K223 WeakPolarHBondContact O-CG 3.24Å; K219-K223 PolarHBondContact O-N 2.82Å
220	L	92.7	Very high	91.3	Very high	11 Å²	11	62 Å²	62	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-50.3	178.9	-164.3	166.9	0	0	0	110.3	L216 V217 K218 D222 K223 E224 L226 F268 L271 F274	L216-L220 WeakPolarHBondContact O-CB 3.46Å; L216-L220 PolarHBondContact O-N 3.13Å; V217-L220 WeakPolarHBondContact O-CB 3.48Å; V217-L220 PolarHBondContact O-N 2.97Å; K218-L220 PolarHBondContact O-N 3.2Å; L220-D222 VanDerWaalsContact C-N 3.3Å; L220-D222 PolarHBondContact O-N 3.01Å; L220-K223 PolarHBondContact O-N 2.74Å; L220-E224 HydrophobicContact CD2-CB 4.18Å; L220-E224 HydrophobicContact CD2-CG 4.04Å; L220-E224 HydrophobicContact CG-CG 4Å; L220-E224 VanDerWaalsContact O-CB 3.23Å; L220-E224 WeakPolarHBondContact O-CB 3.4Å; L220-E224 WeakPolarHBondContact O-CG 3.23Å; L220-E224 PolarHBondContact O-N 3.18Å; L220-L226 HydrophobicContact CD2-CD1 3.68Å; L220-L226 HydrophobicContact CD2-CD2 3.79Å; L220-L226 HydrophobicContact CD2-CG 4.26Å; L220-F268 HydrophobicContact CD2-CD1 4.49Å; L220-F268 HydrophobicContact CD2-CE1 4.44Å; L220-L271 HydrophobicContact CD1-CD1 3.81Å; L220-L271 HydrophobicContact CD1-CG 3.96Å; L220-F274 HydrophobicContact CD1-CB 3.77Å; L220-F274 HydrophobicContact CD1-CG 4.45Å; L220-F274 HydrophobicContact CD2-CB 4.24Å; L220-F274 HydrophobicContact CD2-CD2 4.31Å; L220-F274 HydrophobicContact CD2-CG 4.21Å; L220-F274 HydrophobicContact CG-CB 3.9Å; L220-F274 HydrophobicContact CG-CG 4.41Å
221	V	94.2	Very high	92.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-40.3	176	175.5	0	0	0	0	112	V217 K218 L226 A253 V256 W257 F268	V217-V221 WeakPolarHBondContact O-CG2 3.37Å; V217-V221 PolarHBondContact O-N 2.91Å; K218-V221 PolarHBondContact O-N 2.8Å; V221-L226 HydrophobicContact CG2-CD1 4.39Å; V221-A253 HydrophobicContact CG1-CB 3.89Å; V221-V256 HydrophobicContact CG1-CB 4.02Å; V221-V256 HydrophobicContact CG1-CG1 3.99Å; V221-V256 HydrophobicContact CG1-CG2 4.44Å; V221-V256 HydrophobicContact CG2-CG1 4.45Å; V221-W257 HydrophobicContact CB-CZ2 3.63Å; V221-W257 HydrophobicContact CG1-CZ2 3.81Å; V221-W257 HydrophobicContact CG2-CH2 4.22Å; V221-W257 HydrophobicContact CG2-CZ2 3.76Å; V221-F268 HydrophobicContact CG2-CE1 3.51Å; V221-F268 HydrophobicContact CG2-CZ 3.38Å
222	D	93.5	Very high	92.5	Very high	80 Å²	80	57 Å²	57	43%	0.428	28%	0.282	S	S	.	.	H	α-helix	trans	-74.1	-28.2	-174.9	-65.6	-14	0	0	0	113	K218 K219 L220 W257	K218-D222 WeakPolarHBondContact O-CB 3.31Å; K218-D222 PolarHBondContact O-N 2.94Å; K219-D222 PolarHBondContact O-N 2.76Å; L220-D222 VanDerWaalsContact C-N 3.3Å; L220-D222 PolarHBondContact O-N 3.01Å; D222-W257 PolarHBondContact OD1-NE1 3.3Å
223	K	93.1	Very high	92.7	Very high	159 Å²	159	56.9 Å²	56.9	69%	0.691	28%	0.281	S	S	*	.	H	α-helix	trans	-112.7	-31.3	-170.7	-63.6	-173.1	176.6	-168.4	0	115	K219 L220	K219-K223 VanDerWaalsContact O-CB 3.3Å; K219-K223 WeakPolarHBondContact O-CB 3.03Å; K219-K223 WeakPolarHBondContact O-CG 3.24Å; K219-K223 PolarHBondContact O-N 2.82Å; L220-K223 PolarHBondContact O-N 2.74Å
224	E	93	Very high	92.7	Very high	77 Å²	77	54.3 Å²	54.3	36%	0.36	27%	0.267	S	S	.	.	S	Bend	trans	-84.9	154.4	-172.9	-61.6	-62	154.2	0	0	112.5	L220 L226 F274	L220-E224 HydrophobicContact CD2-CB 4.18Å; L220-E224 HydrophobicContact CD2-CG 4.04Å; L220-E224 HydrophobicContact CG-CG 4Å; L220-E224 VanDerWaalsContact O-CB 3.23Å; L220-E224 WeakPolarHBondContact O-CB 3.4Å; L220-E224 WeakPolarHBondContact O-CG 3.23Å; L220-E224 PolarHBondContact O-N 3.18Å; E224-L226 HydrophobicContact CB-CD2 3.9Å; E224-L226 HydrophobicContact CB-CG 4.04Å; E224-L226 PolarHBondContact O-N 2.82Å; E224-L226 VanDerWaalsContact O-N 3.13Å; E224-F274 HydrophobicContact CB-CD1 4.05Å; E224-F274 HydrophobicContact CB-CE1 4.41Å; E224-F274 HydrophobicContact CG-CB 4.25Å; E224-F274 HydrophobicContact CG-CD1 3.89Å; E224-F274 HydrophobicContact CG-CG 4.34Å
225	F	91.8	Very high	92.6	Very high	139 Å²	139	51.5 Å²	51.5	61%	0.61	26%	0.257	S	S	*	.			trans	-83.8	84.2	173.8	-79.6	-107.4	0	0	0	110.4
226	L	93.9	Very high	92.1	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.263	C	S	.	.			trans	-92.7	151	-177.1	-56.2	178.4	0	0	0	112.4	L220 V221 E224 H231 V232 R250 A251 F268 F274	L220-L226 HydrophobicContact CD2-CD1 3.68Å; L220-L226 HydrophobicContact CD2-CD2 3.79Å; L220-L226 HydrophobicContact CD2-CG 4.26Å; V221-L226 HydrophobicContact CG2-CD1 4.39Å; E224-L226 HydrophobicContact CB-CD2 3.9Å; E224-L226 HydrophobicContact CB-CG 4.04Å; E224-L226 PolarHBondContact O-N 2.82Å; E224-L226 VanDerWaalsContact O-N 3.13Å; L226-H231 HydrophobicContact CB-CB 4.4Å; L226-H231 HydrophobicContact CD2-CB 3.97Å; L226-V232 HydrophobicContact CB-CG2 4.01Å; L226-V232 HydrophobicContact CD1-CG2 3.65Å; L226-V232 HydrophobicContact CG-CG2 4.28Å; L226-R250 VanDerWaalsContact O-CG 3.29Å; L226-R250 WeakPolarHBondContact O-CG 3.46Å; L226-A251 HydrophobicContact CB-CB 4.01Å; L226-A251 PolarHBondContact O-N 3.25Å; L226-F268 HydrophobicContact CD1-CE1 4.29Å; L226-F274 HydrophobicContact CD2-CD1 4.36Å; L226-F274 HydrophobicContact CD2-CD2 4.41Å; L226-F274 HydrophobicContact CD2-CE1 3.87Å; L226-F274 HydrophobicContact CD2-CE2 3.93Å; L226-F274 HydrophobicContact CD2-CZ 3.63Å
227	F	94.2	Very high	90.9	Very high	85 Å²	85	54.3 Å²	54.3	37%	0.373	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-127.7	137.9	176.8	-76.3	-95	0	0	0	108.8	Q230 H231 V232 G249 R250	F227-Q230 HydrophobicContact CB-CB 4.13Å; F227-H231 AromaticContact CD2-CE1 4Å; F227-H231 AromaticContact CD2-ND1 3.96Å; F227-H231 PolarHBondContact N-ND1 2.87Å; F227-H231 VanDerWaalsContact N-ND1 3.12Å; F227-H231 PolarHBondContact O-N 2.81Å; F227-V232 PolarHBondContact O-N 3.03Å; F227-V232 VanDerWaalsContact O-N 3.16Å; F227-G249 WeakPolarHBondContact CA-O 3.46Å; F227-R250 HydrophobicContact CD1-CB 4.47Å; F227-R250 HydrophobicContact CE1-CB 4.31Å
228	F	94.5	Very high	89.2	Confident	18 Å²	18	62.3 Å²	62.3	8%	0.079	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-65.1	142	173.5	-79.2	-56.6	0	0	0	110.7	Q230 V232 L234 N246 P247 G249 A251 T255 V256	F228-Q230 PolarHBondContact O-N 2.79Å; F228-V232 CarbonylContact C-O 3.58Å; F228-V232 VanDerWaalsContact CA-O 3.26Å; F228-V232 WeakPolarHBondContact CA-O 3.41Å; F228-V232 HydrophobicContact CE1-CG1 4.4Å; F228-L234 HydrophobicContact CD1-CG 4.42Å; F228-L234 HydrophobicContact CE1-CD1 3.94Å; F228-L234 HydrophobicContact CE1-CD2 4.12Å; F228-L234 HydrophobicContact CE1-CG 3.77Å; F228-L234 HydrophobicContact CZ-CD1 4.25Å; F228-N246 HydrophobicContact CB-CB 3.88Å; F228-N246 HydrophobicContact CD1-CB 4.42Å; F228-N246 HydrophobicContact CG-CB 4.36Å; F228-P247 WeakPolarHBondContact CB-O 3.42Å; F228-P247 HydrophobicContact CD2-CB 3.9Å; F228-P247 HydrophobicContact CD2-CG 4.21Å; F228-P247 HydrophobicContact CE2-CB 4.01Å; F228-P247 HydrophobicContact CE2-CG 4.02Å; F228-P247 HydrophobicContact CZ-CG 4.32Å; F228-G249 PolarHBondContact N-O 2.85Å; F228-A251 HydrophobicContact CD1-CB 3.92Å; F228-A251 HydrophobicContact CD2-CB 3.9Å; F228-A251 HydrophobicContact CE1-CB 3.84Å; F228-A251 HydrophobicContact CE2-CB 3.85Å; F228-A251 HydrophobicContact CG-CB 3.94Å; F228-A251 HydrophobicContact CZ-CB 3.81Å; F228-T255 HydrophobicContact CE2-CG2 4.26Å; F228-T255 HydrophobicContact CZ-CG2 4.25Å; F228-V256 HydrophobicContact CE1-CG2 4.02Å; F228-V256 HydrophobicContact CZ-CG2 3.83Å
229	G	89.8	Confident	87.2	Confident	47 Å²	47	59.9 Å²	59.9	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-28.2	-177.5	0	0	0	0	0	115	V232 D233 N246	G229-V232 PolarHBondContact N-O 3.12Å; G229-D233 WeakPolarHBondContact CA-OD1 3.37Å; G229-N246 WeakPolarHBondContact CA-ND2 3.43Å; G229-N246 PolarHBondContact N-ND2 2.79Å
230	Q	90.1	Very high	85.4	Confident	94 Å²	94	56.5 Å²	56.5	44%	0.439	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-49.9	176	-172.4	-180	6.4	0	0	112.1	F227 F228 N618	F227-Q230 HydrophobicContact CB-CB 4.13Å; F228-Q230 PolarHBondContact O-N 2.79Å; Q230-N618 PolarHBondContact NE2-O 3.27Å
231	H	92.9	Very high	83.2	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.037	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-35	-172.9	-53.3	117.4	0	0	0	112.1	L226 F227 F268 H269 F274 N618	L226-H231 HydrophobicContact CB-CB 4.4Å; L226-H231 HydrophobicContact CD2-CB 3.97Å; F227-H231 AromaticContact CD2-CE1 4Å; F227-H231 AromaticContact CD2-ND1 3.96Å; F227-H231 PolarHBondContact N-ND1 2.87Å; F227-H231 VanDerWaalsContact N-ND1 3.12Å; F227-H231 PolarHBondContact O-N 2.81Å; H231-F268 WeakPolarHBondContact O-CA 3.27Å; H231-H269 PolarHBondContact O-N 3.49Å; H231-F274 HydrophobicContact CB-CE2 4.35Å; H231-F274 HydrophobicContact CB-CZ 4.31Å; H231-F274 AromaticContact CD2-CE2 3.93Å; H231-F274 AromaticContact CD2-CZ 3.53Å; H231-F274 AromaticContact CG-CZ 3.87Å; H231-F274 AromaticContact NE2-CZ 3.98Å; H231-N618 PolarHBondContact NE2-ND2 2.93Å
232	V	94.4	Very high	81.1	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.4	-174.3	-177.9	0	0	0	0	109.9	L226 F227 F228 G229 A251 I266 R267 F268	L226-V232 HydrophobicContact CB-CG2 4.01Å; L226-V232 HydrophobicContact CD1-CG2 3.65Å; L226-V232 HydrophobicContact CG-CG2 4.28Å; F227-V232 PolarHBondContact O-N 3.03Å; F227-V232 VanDerWaalsContact O-N 3.16Å; F228-V232 CarbonylContact C-O 3.58Å; F228-V232 VanDerWaalsContact CA-O 3.26Å; F228-V232 WeakPolarHBondContact CA-O 3.41Å; F228-V232 HydrophobicContact CE1-CG1 4.4Å; G229-V232 PolarHBondContact N-O 3.12Å; V232-A251 HydrophobicContact CB-CB 4.35Å; V232-I266 HydrophobicContact CG1-CG2 3.55Å; V232-R267 CarbonylContact C-O 3.56Å; V232-R267 WeakPolarHBondContact CA-O 3.47Å; V232-F268 HydrophobicContact CG2-CD1 3.74Å; V232-F268 HydrophobicContact CG2-CE1 3.78Å
233	D	94.1	Very high	79.5	Confident	4 Å²	4	74.7 Å²	74.7	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.9	169.4	-66.7	-31.1	0	0	0	111.2	G229 I244 N246 I266 R267 H269	G229-D233 WeakPolarHBondContact CA-OD1 3.37Å; D233-I244 HydrophobicContact CB-CD1 3.87Å; D233-I244 HydrophobicContact CB-CG2 3.98Å; D233-N246 VanDerWaalsContact CA-OD1 3.28Å; D233-N246 WeakPolarHBondContact CA-OD1 3.43Å; D233-N246 PolarHBondContact OD1-ND2 3.4Å; D233-I266 WeakPolarHBondContact O-CA 3.35Å; D233-R267 HydrophobicContact CB-CB 4.19Å; D233-R267 PolarHBondContact N-O 2.97Å; D233-R267 PolarHBondContact O-N 3.25Å; D233-R267 IonicContact OD2-CZ 2.77Å; D233-R267 IonicContact OD2-NE 2.8Å; D233-R267 PolarHBondContact OD2-NE 3.42Å; D233-R267 IonicContact OD2-NH2 3.89Å; D233-R267 PolarHBondContact OD2-NH2 3.39Å; D233-H269 IonicContact OD1-NE2 3.97Å; D233-H269 IonicContact OD2-CD2 3.86Å; D233-H269 IonicContact OD2-CE1 3.25Å; D233-H269 IonicContact OD2-NE2 3.05Å; D233-H269 PolarHBondContact OD2-NE2 2.87Å
234	L	92.4	Very high	78.6	Confident	9 Å²	9	69.1 Å²	69.1	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.9	170	-61.3	177	0	0	0	109.3	F228 I244 N246 P247 H259 K264 I266	F228-L234 HydrophobicContact CD1-CG 4.42Å; F228-L234 HydrophobicContact CE1-CD1 3.94Å; F228-L234 HydrophobicContact CE1-CD2 4.12Å; F228-L234 HydrophobicContact CE1-CG 3.77Å; F228-L234 HydrophobicContact CZ-CD1 4.25Å; L234-I244 VanDerWaalsContact O-CG2 3.3Å; L234-I244 WeakPolarHBondContact O-CG2 3.19Å; L234-N246 PolarHBondContact N-OD1 2.89Å; L234-P247 HydrophobicContact CD1-CG 4.15Å; L234-H259 HydrophobicContact CD1-CB 3.87Å; L234-H259 VanDerWaalsContact CD1-CD2 3.46Å; L234-H259 WeakPolarHBondContact CD1-CD2 3.41Å; L234-H259 HydrophobicContact CD2-CB 3.9Å; L234-K264 HydrophobicContact CB-CD 4.31Å; L234-I266 HydrophobicContact CD2-CG1 4.5Å
235	I	88.7	Confident	77.9	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.3	-178.7	-58.7	167.1	0	0	0	109	K264 G265 R267 Y298 L300 L307	I235-K264 CarbonylContact O-C 3.59Å; I235-K264 WeakPolarHBondContact O-CA 3.38Å; I235-K264 WeakPolarHBondContact O-CB 3.46Å; I235-G265 PolarHBondContact N-O 3.46Å; I235-G265 PolarHBondContact O-N 3.5Å; I235-R267 HydrophobicContact CD1-CB 3.6Å; I235-R267 HydrophobicContact CG1-CB 4.06Å; I235-Y298 HydrophobicContact CD1-CD1 3.62Å; I235-Y298 HydrophobicContact CD1-CE1 3.95Å; I235-L300 HydrophobicContact CD1-CD2 4.07Å; I235-L307 HydrophobicContact CD1-CD1 4.21Å; I235-L307 HydrophobicContact CG2-CD1 4.09Å; I235-L307 HydrophobicContact CG2-CD2 3.37Å; I235-L307 HydrophobicContact CG2-CG 4.35Å
236	E	79.8	Confident	77.7	Confident	124 Å²	124	66.8 Å²	66.8	58%	0.579	34%	0.336	S	S	*	.			trans	-104.3	152.6	169.1	-114.5	170.6	-156.5	0	0	111.4	K264	E236-K264 HydrophobicContact CG-CD 4.02Å; E236-K264 HydrophobicContact CG-CG 4.16Å; E236-K264 WeakPolarHBondContact OE1-CE 3.29Å; E236-K264 IonicContact OE1-NZ 3.07Å; E236-K264 PolarHBondContact OE1-NZ 2.88Å
237	D	65.5	Low	77.5	Confident	67 Å²	67	68.7 Å²	68.7	36%	0.358	35%	0.348	S	S	.	.	S	Bend	trans	-70.5	142.1	-175.7	-164.7	21	0	0	0	110.7	T305 E306	D237-T305 WeakPolarHBondContact OD1-CA 3.37Å; D237-E306 PolarHBondContact OD1-N 3.08Å
238	K	57.8	Low	77.4	Confident	168 Å²	168	70.8 Å²	70.8	73%	0.73	37%	0.371	S	S	*	.	S	Bend	trans	90	75.6	-172.4	-53.1	175	-176.5	-179.8	0	115.2
239	T	50.9	Low	77.3	Confident	45 Å²	45	71.8 Å²	71.8	28%	0.276	39%	0.386	S	S	.	.			trans	63.5	125.3	160.6	60.8	0	0	0	0	117	K241	T239-K241 PolarHBondContact O-N 3.18Å
240	L	56.9	Low	77.6	Confident	44 Å²	44	73.7 Å²	73.7	23%	0.23	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	16.8	162.8	-71.6	163.7	0	0	0	113.7	I244 L307 F309	L240-I244 HydrophobicContact CD2-CD1 3.4Å; L240-I244 HydrophobicContact CD2-CG1 3.53Å; L240-L307 HydrophobicContact CD1-CB 4.39Å; L240-L307 HydrophobicContact CG-CD2 4.43Å; L240-F309 HydrophobicContact CD1-CD1 3.94Å; L240-F309 HydrophobicContact CD1-CE1 3.2Å; L240-F309 HydrophobicContact CD1-CE2 4.12Å; L240-F309 HydrophobicContact CD1-CZ 3.31Å
241	K	45.6	Very low	77.8	Confident	142 Å²	142	69.3 Å²	69.3	62%	0.617	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-23.9	175.2	-76.6	-176	175.2	179.3	0	112.2	T239	T239-K241 PolarHBondContact O-N 3.18Å
242	H	50.3	Low	78	Confident	149 Å²	149	74.5 Å²	74.5	69%	0.69	38%	0.381	S	S	*	.	S	Bend	trans	-96.2	142.7	168.1	-65.1	-62	0	0	0	108.9	I244	H242-I244 PolarHBondContact O-N 2.82Å
243	E	59.7	Low	78.1	Confident	184 Å²	184	75.7 Å²	75.7	86%	0.86	39%	0.391	S	S	*	.			trans	-50.4	126.2	176.4	-82	-179.7	151.3	0	0	109.2	V245	E243-V245 PolarHBondContact O-N 2.96Å
244	I	74.4	Confident	78.1	Confident	43 Å²	43	78 Å²	78	22%	0.221	42%	0.416	C	S	.	.			trans	-57.4	114.7	171.9	-60.8	-178.1	0	0	0	107	D233 L234 L240 H242 N246 R267	D233-I244 HydrophobicContact CB-CD1 3.87Å; D233-I244 HydrophobicContact CB-CG2 3.98Å; L234-I244 VanDerWaalsContact O-CG2 3.3Å; L234-I244 WeakPolarHBondContact O-CG2 3.19Å; L240-I244 HydrophobicContact CD2-CD1 3.4Å; L240-I244 HydrophobicContact CD2-CG1 3.53Å; H242-I244 PolarHBondContact O-N 2.82Å; I244-N246 WeakPolarHBondContact CG2-OD1 3.25Å; I244-N246 PolarHBondContact O-N 3.23Å; I244-R267 VanDerWaalsContact CD1-NH2 3.26Å
245	V	77.5	Confident	78.3	Confident	132 Å²	132	79.8 Å²	79.8	80%	0.8	43%	0.427	S	S	*	.			trans	-86.6	98.8	175.5	-174.9	0	0	0	0	107.9	E243	E243-V245 PolarHBondContact O-N 2.96Å
246	N	88.2	Confident	78.6	Confident	34 Å²	34	79.6 Å²	79.6	18%	0.182	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-91.4	150.5	172.1	-63.1	-56.8	0	0	0	111.4	F228 G229 D233 L234 I244	F228-N246 HydrophobicContact CB-CB 3.88Å; F228-N246 HydrophobicContact CD1-CB 4.42Å; F228-N246 HydrophobicContact CG-CB 4.36Å; G229-N246 WeakPolarHBondContact CA-ND2 3.43Å; G229-N246 PolarHBondContact N-ND2 2.79Å; D233-N246 VanDerWaalsContact CA-OD1 3.28Å; D233-N246 WeakPolarHBondContact CA-OD1 3.43Å; D233-N246 PolarHBondContact OD1-ND2 3.4Å; L234-N246 PolarHBondContact N-OD1 2.89Å; I244-N246 WeakPolarHBondContact CG2-OD1 3.25Å; I244-N246 PolarHBondContact O-N 3.23Å
247	P	90.8	Very high	79.4	Confident	41 Å²	41	75.8 Å²	75.8	27%	0.266	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-55.7	144.9	162.5	-19.6	31.4	0	0	0	110.4	F228 L234	F228-P247 WeakPolarHBondContact CB-O 3.42Å; F228-P247 HydrophobicContact CD2-CB 3.9Å; F228-P247 HydrophobicContact CD2-CG 4.21Å; F228-P247 HydrophobicContact CE2-CB 4.01Å; F228-P247 HydrophobicContact CE2-CG 4.02Å; F228-P247 HydrophobicContact CZ-CG 4.32Å; L234-P247 HydrophobicContact CD1-CG 4.15Å
248	P	91.1	Very high	80.8	Confident	130 Å²	130	77.5 Å²	77.5	84%	0.844	41%	0.413	S	S	*	.	S	Bend	trans	-71.1	146.9	177.3	29.4	-34.2	0	0	0	111.4
249	G	92.8	Very high	82.5	Confident	39 Å²	39	71.1 Å²	71.1	40%	0.402	39%	0.385	S	S	.	.	S	Bend	trans	86.6	-146.4	166.6	0	0	0	0	0	115.2	F227 F228	F227-G249 WeakPolarHBondContact CA-O 3.46Å; F228-G249 PolarHBondContact N-O 2.85Å
250	R	95.2	Very high	84.5	Confident	86 Å²	86	70.2 Å²	70.2	33%	0.325	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-70.7	134.1	-170.2	-172.4	174.9	178.1	175.4	2.3	111.3	L226 F227 F252	L226-R250 VanDerWaalsContact O-CG 3.29Å; L226-R250 WeakPolarHBondContact O-CG 3.46Å; F227-R250 HydrophobicContact CD1-CB 4.47Å; F227-R250 HydrophobicContact CE1-CB 4.31Å; R250-F252 HydrophobicContact CB-CD2 4.28Å; R250-F252 HydrophobicContact CB-CE2 3.93Å; R250-F252 HydrophobicContact CB-CZ 4.31Å; R250-F252 HydrophobicContact CG-CD2 4.35Å; R250-F252 HydrophobicContact CG-CE1 4.44Å; R250-F252 HydrophobicContact CG-CE2 4.2Å; R250-F252 HydrophobicContact CG-CZ 4.27Å; R250-F252 PolarHBondContact O-N 2.95Å
251	A	95.6	Very high	86.1	Confident	2 Å²	2	72.7 Å²	72.7	2%	0.017	40%	0.398	C	S	.	.			trans	-87.2	82.5	173.6	0	0	0	0	0	109.9	L226 F228 V232 V256	L226-A251 HydrophobicContact CB-CB 4.01Å; L226-A251 PolarHBondContact O-N 3.25Å; F228-A251 HydrophobicContact CD1-CB 3.92Å; F228-A251 HydrophobicContact CD2-CB 3.9Å; F228-A251 HydrophobicContact CE1-CB 3.84Å; F228-A251 HydrophobicContact CE2-CB 3.85Å; F228-A251 HydrophobicContact CG-CB 3.94Å; F228-A251 HydrophobicContact CZ-CB 3.81Å; V232-A251 HydrophobicContact CB-CB 4.35Å; A251-V256 HydrophobicContact CB-CG2 3.86Å
252	F	95.7	Very high	88.3	Confident	117 Å²	117	71.2 Å²	71.2	51%	0.513	39%	0.393	S	S	.	.			trans	-66.1	140.3	174	-68.1	-82.3	0	0	0	110.9	R250 G254 T255 V256	R250-F252 HydrophobicContact CB-CD2 4.28Å; R250-F252 HydrophobicContact CB-CE2 3.93Å; R250-F252 HydrophobicContact CB-CZ 4.31Å; R250-F252 HydrophobicContact CG-CD2 4.35Å; R250-F252 HydrophobicContact CG-CE1 4.44Å; R250-F252 HydrophobicContact CG-CE2 4.2Å; R250-F252 HydrophobicContact CG-CZ 4.27Å; R250-F252 PolarHBondContact O-N 2.95Å; F252-G254 VanDerWaalsContact C-N 3.3Å; F252-G254 PolarHBondContact O-N 3.24Å; F252-T255 WeakPolarHBondContact O-CB 3.43Å; F252-T255 PolarHBondContact O-N 3.27Å; F252-V256 WeakPolarHBondContact O-CG2 3.48Å; F252-V256 PolarHBondContact O-N 3.34Å
253	A	96.2	Very high	90	Very high	25 Å²	25	64.8 Å²	64.8	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-53	-45.7	-177.8	0	0	0	0	0	112.9	V221 T255 V256 W257	V221-A253 HydrophobicContact CG1-CB 3.89Å; A253-T255 VanDerWaalsContact C-N 3.34Å; A253-T255 PolarHBondContact O-N 3.23Å; A253-V256 PolarHBondContact O-N 2.75Å; A253-W257 WeakPolarHBondContact O-CB 3.34Å; A253-W257 PolarHBondContact O-N 3.02Å
254	G	95.6	Very high	91.5	Very high	54 Å²	54	58 Å²	58	56%	0.557	34%	0.335	S	S	*	.	H	α-helix	trans	-55.4	-47.9	177.2	0	0	0	0	0	112.4	F252 W257 E258	F252-G254 VanDerWaalsContact C-N 3.3Å; F252-G254 PolarHBondContact O-N 3.24Å; G254-W257 PolarHBondContact O-N 3.48Å; G254-E258 VanDerWaalsContact O-CB 3.24Å; G254-E258 WeakPolarHBondContact O-CB 3.4Å; G254-E258 PolarHBondContact O-N 3.12Å
255	T	95.8	Very high	92.3	Very high	46 Å²	46	56 Å²	56	28%	0.282	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-45.2	178	-50.1	0	0	0	0	111.9	F228 F252 A253 W257 E258 H259	F228-T255 HydrophobicContact CE2-CG2 4.26Å; F228-T255 HydrophobicContact CZ-CG2 4.25Å; F252-T255 WeakPolarHBondContact O-CB 3.43Å; F252-T255 PolarHBondContact O-N 3.27Å; A253-T255 VanDerWaalsContact C-N 3.34Å; A253-T255 PolarHBondContact O-N 3.23Å; T255-W257 PolarHBondContact O-N 3.49Å; T255-E258 PolarHBondContact O-N 3.1Å; T255-H259 PolarHBondContact O-N 3.32Å; T255-H259 VanDerWaalsContact O-N 3.14Å; T255-H259 PolarHBondContact O-ND1 3.37Å
256	V	96.3	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-47.1	178.9	174	0	0	0	0	110.7	V221 F228 A251 F252 A253 H259 Y260 I266	V221-V256 HydrophobicContact CG1-CB 4.02Å; V221-V256 HydrophobicContact CG1-CG1 3.99Å; V221-V256 HydrophobicContact CG1-CG2 4.44Å; V221-V256 HydrophobicContact CG2-CG1 4.45Å; F228-V256 HydrophobicContact CE1-CG2 4.02Å; F228-V256 HydrophobicContact CZ-CG2 3.83Å; A251-V256 HydrophobicContact CB-CG2 3.86Å; F252-V256 WeakPolarHBondContact O-CG2 3.48Å; F252-V256 PolarHBondContact O-N 3.34Å; A253-V256 PolarHBondContact O-N 2.75Å; V256-H259 PolarHBondContact O-N 2.94Å; V256-Y260 WeakPolarHBondContact O-CB 3.5Å; V256-Y260 PolarHBondContact O-N 3.25Å; V256-I266 HydrophobicContact CG1-CD1 3.54Å; V256-I266 HydrophobicContact CG1-CG1 4.18Å
257	W	95.3	Very high	93.4	Very high	43 Å²	43	50.5 Å²	50.5	16%	0.163	29%	0.287	C	S	.	.	H	α-helix	trans	-71.6	-33.1	-178.8	-66.2	128.4	0	0	0	113.5	Y214 K218 V221 D222 A253 G254 T255 Y260 S261 I266 L299	Y214-W257 HydrophobicContact CE2-CZ3 4.48Å; K218-W257 HydrophobicContact CB-CH2 4.42Å; K218-W257 HydrophobicContact CB-CZ2 4.13Å; K218-W257 HydrophobicContact CG-CH2 4.49Å; K218-W257 HydrophobicContact CG-CZ2 3.88Å; V221-W257 HydrophobicContact CB-CZ2 3.63Å; V221-W257 HydrophobicContact CG1-CZ2 3.81Å; V221-W257 HydrophobicContact CG2-CH2 4.22Å; V221-W257 HydrophobicContact CG2-CZ2 3.76Å; D222-W257 PolarHBondContact OD1-NE1 3.3Å; A253-W257 WeakPolarHBondContact O-CB 3.34Å; A253-W257 PolarHBondContact O-N 3.02Å; G254-W257 PolarHBondContact O-N 3.48Å; T255-W257 PolarHBondContact O-N 3.49Å; W257-Y260 HydrophobicContact CE3-CD1 4.06Å; W257-Y260 HydrophobicContact CE3-CG 4.22Å; W257-Y260 HydrophobicContact CZ3-CD1 4.14Å; W257-Y260 HydrophobicContact CZ3-CG 4.31Å; W257-Y260 PolarHBondContact O-N 3.09Å; W257-S261 WeakPolarHBondContact O-CB 3.34Å; W257-S261 PolarHBondContact O-N 2.79Å; W257-I266 HydrophobicContact CE3-CD1 4.36Å; W257-I266 HydrophobicContact CH2-CD1 4.5Å; W257-I266 HydrophobicContact CZ3-CD1 3.94Å; W257-L299 HydrophobicContact CH2-CD2 4.26Å; W257-L299 HydrophobicContact CZ3-CD2 4.11Å
258	E	94.8	Very high	93.6	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-51.9	171.6	-179.8	179.7	-167	0	0	110.5	G254 T255 Y260 S261 Q262	G254-E258 VanDerWaalsContact O-CB 3.24Å; G254-E258 WeakPolarHBondContact O-CB 3.4Å; G254-E258 PolarHBondContact O-N 3.12Å; T255-E258 PolarHBondContact O-N 3.1Å; E258-Y260 VanDerWaalsContact C-N 3.31Å; E258-Y260 PolarHBondContact O-N 3.37Å; E258-S261 PolarHBondContact O-N 3.13Å; E258-S261 VanDerWaalsContact O-N 3.14Å; E258-S261 PolarHBondContact O-OG 3.03Å; E258-Q262 WeakPolarHBondContact O-CG 3.38Å; E258-Q262 PolarHBondContact O-N 3.07Å; E258-Q262 VanDerWaalsContact O-N 3.07Å
259	H	93.3	Very high	93.7	Very high	34 Å²	34	44.5 Å²	44.5	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-38.7	177.9	-73.1	78.8	0	0	0	112.2	L234 T255 V256 Q262 G263 K264	L234-H259 HydrophobicContact CD1-CB 3.87Å; L234-H259 VanDerWaalsContact CD1-CD2 3.46Å; L234-H259 WeakPolarHBondContact CD1-CD2 3.41Å; L234-H259 HydrophobicContact CD2-CB 3.9Å; T255-H259 PolarHBondContact O-N 3.32Å; T255-H259 VanDerWaalsContact O-N 3.14Å; T255-H259 PolarHBondContact O-ND1 3.37Å; V256-H259 PolarHBondContact O-N 2.94Å; H259-Q262 PolarHBondContact O-N 3.38Å; H259-G263 PolarHBondContact O-N 3.41Å; H259-K264 HydrophobicContact CB-CD 4.17Å; H259-K264 HydrophobicContact CB-CG 4.47Å; H259-K264 WeakPolarHBondContact O-CB 3.19Å; H259-K264 WeakPolarHBondContact O-CG 3.43Å; H259-K264 PolarHBondContact O-N 3.05Å; H259-K264 VanDerWaalsContact O-N 3.12Å
260	Y	92.5	Very high	93.6	Very high	26 Å²	26	44.8 Å²	44.8	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-41.7	174.6	-173.3	-104.7	0	0	0	112.3	Y214 V256 W257 E258 Q262 G263 K264 I266 L299 L300 H373	Y214-Y260 HydrophobicContact CE2-CE1 4.46Å; V256-Y260 WeakPolarHBondContact O-CB 3.5Å; V256-Y260 PolarHBondContact O-N 3.25Å; W257-Y260 HydrophobicContact CE3-CD1 4.06Å; W257-Y260 HydrophobicContact CE3-CG 4.22Å; W257-Y260 HydrophobicContact CZ3-CD1 4.14Å; W257-Y260 HydrophobicContact CZ3-CG 4.31Å; W257-Y260 PolarHBondContact O-N 3.09Å; E258-Y260 VanDerWaalsContact C-N 3.31Å; E258-Y260 PolarHBondContact O-N 3.37Å; Y260-Q262 PolarHBondContact O-N 3.02Å; Y260-G263 WeakPolarHBondContact O-CA 3.33Å; Y260-G263 PolarHBondContact O-N 2.9Å; Y260-K264 WeakPolarHBondContact CD2-O 3.29Å; Y260-I266 HydrophobicContact CD2-CD1 3.71Å; Y260-I266 HydrophobicContact CD2-CG1 3.93Å; Y260-I266 HydrophobicContact CG-CD1 3.99Å; Y260-L299 HydrophobicContact CE2-CD1 4.35Å; Y260-L299 HydrophobicContact CE2-CD2 4.1Å; Y260-L299 HydrophobicContact CE2-CG 3.69Å; Y260-L300 PolarHBondContact OH-O 3.04Å; Y260-H373 WeakPolarHBondContact OH-CB 3.38Å
261	S	91.8	Very high	93.5	Very high	96 Å²	96	40.8 Å²	40.8	67%	0.671	22%	0.222	S	C	*	.	H	α-helix	trans	-64.9	-29.1	177.2	77.3	0	0	0	0	112.9	W257 E258 G263	W257-S261 WeakPolarHBondContact O-CB 3.34Å; W257-S261 PolarHBondContact O-N 2.79Å; E258-S261 PolarHBondContact O-N 3.13Å; E258-S261 VanDerWaalsContact O-N 3.14Å; E258-S261 PolarHBondContact O-OG 3.03Å; S261-G263 PolarHBondContact O-N 3.17Å
262	Q	90.6	Very high	93.3	Very high	111 Å²	111	41 Å²	41	52%	0.519	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.5	171.7	-65	167.5	-0	0	0	113	E258 H259 Y260	E258-Q262 WeakPolarHBondContact O-CG 3.38Å; E258-Q262 PolarHBondContact O-N 3.07Å; E258-Q262 VanDerWaalsContact O-N 3.07Å; H259-Q262 PolarHBondContact O-N 3.38Å; Y260-Q262 PolarHBondContact O-N 3.02Å
263	G	87.9	Confident	93	Very high	15 Å²	15	36 Å²	36	16%	0.155	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	3.3	174.5	0	0	0	0	0	115	H259 Y260 S261 S301	H259-G263 PolarHBondContact O-N 3.41Å; Y260-G263 WeakPolarHBondContact O-CA 3.33Å; Y260-G263 PolarHBondContact O-N 2.9Å; S261-G263 PolarHBondContact O-N 3.17Å; G263-S301 WeakPolarHBondContact CA-OG 3.49Å; G263-S301 PolarHBondContact O-OG 2.82Å
264	K	89.8	Confident	92.7	Very high	42 Å²	42	36.5 Å²	36.5	18%	0.183	20%	0.199	C	C	.	.			trans	-68.5	146.9	173.5	-55	-161	-166.3	-159.5	0	110.7	L234 I235 E236 H259 Y260	L234-K264 HydrophobicContact CB-CD 4.31Å; I235-K264 CarbonylContact O-C 3.59Å; I235-K264 WeakPolarHBondContact O-CA 3.38Å; I235-K264 WeakPolarHBondContact O-CB 3.46Å; E236-K264 HydrophobicContact CG-CD 4.02Å; E236-K264 HydrophobicContact CG-CG 4.16Å; E236-K264 WeakPolarHBondContact OE1-CE 3.29Å; E236-K264 IonicContact OE1-NZ 3.07Å; E236-K264 PolarHBondContact OE1-NZ 2.88Å; H259-K264 HydrophobicContact CB-CD 4.17Å; H259-K264 HydrophobicContact CB-CG 4.47Å; H259-K264 WeakPolarHBondContact O-CB 3.19Å; H259-K264 WeakPolarHBondContact O-CG 3.43Å; H259-K264 PolarHBondContact O-N 3.05Å; H259-K264 VanDerWaalsContact O-N 3.12Å; Y260-K264 WeakPolarHBondContact CD2-O 3.29Å
265	G	91.6	Very high	92.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	164.9	167.5	0	0	0	0	0	111.4	I235 L299	I235-G265 PolarHBondContact N-O 3.46Å; I235-G265 PolarHBondContact O-N 3.5Å; G265-L299 CarbonylContact C-O 3.6Å; G265-L299 WeakPolarHBondContact CA-O 3.4Å
266	I	93.9	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.9	174.2	-55.9	164.2	0	0	0	108.6	V232 D233 L234 V256 W257 Y260 F268 L299	V232-I266 HydrophobicContact CG1-CG2 3.55Å; D233-I266 WeakPolarHBondContact O-CA 3.35Å; L234-I266 HydrophobicContact CD2-CG1 4.5Å; V256-I266 HydrophobicContact CG1-CD1 3.54Å; V256-I266 HydrophobicContact CG1-CG1 4.18Å; W257-I266 HydrophobicContact CE3-CD1 4.36Å; W257-I266 HydrophobicContact CH2-CD1 4.5Å; W257-I266 HydrophobicContact CZ3-CD1 3.94Å; Y260-I266 HydrophobicContact CD2-CD1 3.71Å; Y260-I266 HydrophobicContact CD2-CG1 3.93Å; Y260-I266 HydrophobicContact CG-CD1 3.99Å; I266-F268 HydrophobicContact CB-CE2 3.99Å; I266-F268 HydrophobicContact CB-CZ 4.46Å; I266-F268 HydrophobicContact CG2-CD2 3.88Å; I266-F268 HydrophobicContact CG2-CE1 4.24Å; I266-F268 HydrophobicContact CG2-CE2 3.32Å; I266-F268 HydrophobicContact CG2-CZ 3.52Å; I266-L299 HydrophobicContact CB-CB 4.41Å; I266-L299 HydrophobicContact CD1-CD2 4.21Å; I266-L299 PolarHBondContact N-O 3.15Å; I266-L299 PolarHBondContact O-N 2.85Å
267	R	94.3	Very high	92	Very high	50 Å²	50	45.7 Å²	45.7	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.6	168.6	171.8	176.7	78.3	168.8	5.4	109.2	V232 D233 I235 I244 H269 T296 A297 Y298	V232-R267 CarbonylContact C-O 3.56Å; V232-R267 WeakPolarHBondContact CA-O 3.47Å; D233-R267 HydrophobicContact CB-CB 4.19Å; D233-R267 PolarHBondContact N-O 2.97Å; D233-R267 PolarHBondContact O-N 3.25Å; D233-R267 IonicContact OD2-CZ 2.77Å; D233-R267 IonicContact OD2-NE 2.8Å; D233-R267 PolarHBondContact OD2-NE 3.42Å; D233-R267 IonicContact OD2-NH2 3.89Å; D233-R267 PolarHBondContact OD2-NH2 3.39Å; I235-R267 HydrophobicContact CD1-CB 3.6Å; I235-R267 HydrophobicContact CG1-CB 4.06Å; I244-R267 VanDerWaalsContact CD1-NH2 3.26Å; R267-H269 PolarHBondContact NE-CE1 3.38Å; R267-H269 PolarHBondContact NE-NE2 3.47Å; R267-H269 PolarHBondContact NH2-CE1 3.06Å; R267-T296 HydrophobicContact CG-CG2 3.77Å; R267-A297 CarbonylContact C-O 3.57Å; R267-A297 WeakPolarHBondContact CA-O 3.4Å; R267-Y298 HydrophobicContact CB-CD1 4.16Å; R267-Y298 HydrophobicContact CB-CE1 4.06Å; R267-Y298 VanDerWaalsContact CD-CZ 3.49Å; R267-Y298 VanDerWaalsContact CD-OH 3.32Å; R267-Y298 WeakPolarHBondContact CD-OH 3.35Å; R267-Y298 HydrophobicContact CG-CD1 4.33Å; R267-Y298 HydrophobicContact CG-CE1 3.91Å; R267-Y298 HydrophobicContact CG-CE2 4.43Å
268	F	94.9	Very high	91.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.3	174.3	-64.2	-93.7	0	0	0	110.3	V217 L220 V221 L226 H231 V232 I266 L271 T296 A297	V217-F268 HydrophobicContact CG1-CD2 4.24Å; V217-F268 HydrophobicContact CG1-CE1 4.42Å; V217-F268 HydrophobicContact CG1-CE2 3.35Å; V217-F268 HydrophobicContact CG1-CZ 3.47Å; V217-F268 VanDerWaalsContact CG1-CZ 3.47Å; L220-F268 HydrophobicContact CD2-CD1 4.49Å; L220-F268 HydrophobicContact CD2-CE1 4.44Å; V221-F268 HydrophobicContact CG2-CE1 3.51Å; V221-F268 HydrophobicContact CG2-CZ 3.38Å; L226-F268 HydrophobicContact CD1-CE1 4.29Å; H231-F268 WeakPolarHBondContact O-CA 3.27Å; V232-F268 HydrophobicContact CG2-CD1 3.74Å; V232-F268 HydrophobicContact CG2-CE1 3.78Å; I266-F268 HydrophobicContact CB-CE2 3.99Å; I266-F268 HydrophobicContact CB-CZ 4.46Å; I266-F268 HydrophobicContact CG2-CD2 3.88Å; I266-F268 HydrophobicContact CG2-CE1 4.24Å; I266-F268 HydrophobicContact CG2-CE2 3.32Å; I266-F268 HydrophobicContact CG2-CZ 3.52Å; F268-L271 HydrophobicContact CB-CD1 3.22Å; F268-L271 HydrophobicContact CD1-CD1 4.07Å; F268-L271 HydrophobicContact CG-CD1 3.77Å; F268-T296 CarbonylContact O-C 3.53Å; F268-T296 WeakPolarHBondContact O-CA 3.45Å; F268-T296 WeakPolarHBondContact O-CG2 3.36Å; F268-A297 HydrophobicContact CB-CB 4.42Å; F268-A297 PolarHBondContact N-O 2.99Å; F268-A297 PolarHBondContact O-N 2.79Å
269	H	93	Very high	91.8	Very high	44 Å²	44	41.1 Å²	41.1	20%	0.204	19%	0.192	C	C	.	.			trans	-96.4	150.2	175.4	-62.4	-71.4	0	0	0	111.5	H231 D233 R267 L271	H231-H269 PolarHBondContact O-N 3.49Å; D233-H269 IonicContact OD1-NE2 3.97Å; D233-H269 IonicContact OD2-CD2 3.86Å; D233-H269 IonicContact OD2-CE1 3.25Å; D233-H269 IonicContact OD2-NE2 3.05Å; D233-H269 PolarHBondContact OD2-NE2 2.87Å; R267-H269 PolarHBondContact NE-CE1 3.38Å; R267-H269 PolarHBondContact NE-NE2 3.47Å; R267-H269 PolarHBondContact NH2-CE1 3.06Å; H269-L271 PolarHBondContact O-N 2.88Å; H269-L271 VanDerWaalsContact O-N 3.14Å
270	N	91.5	Very high	91.8	Very high	45 Å²	45	41.8 Å²	41.8	24%	0.241	20%	0.195	C	C	.	.			trans	50.8	43	167.7	-151.1	34.4	0	0	0	113.4	Q272 T273 V295 G617	N270-Q272 PolarHBondContact O-N 2.65Å; N270-Q272 PolarHBondContact OD1-NE2 2.66Å; N270-Q272 PolarHBondContact OD1-OE1 2.99Å; N270-T273 PolarHBondContact ND2-OG1 3.2Å; N270-T273 WeakPolarHBondContact O-CB 3.4Å; N270-T273 PolarHBondContact O-N 2.77Å; N270-T273 PolarHBondContact O-OG1 3.09Å; N270-V295 CarbonylContact C-O 3.58Å; N270-V295 WeakPolarHBondContact CA-O 3.49Å; N270-V295 PolarHBondContact N-O 2.82Å; N270-V295 VanDerWaalsContact N-O 3.11Å; N270-G617 PolarHBondContact ND2-O 3.43Å
271	L	92.4	Very high	91.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59.4	-24.2	-169.3	-144.7	78.5	0	0	0	113.2	L212 L220 F268 H269 T273 F274 S275 L278 V295 A297	L212-L271 HydrophobicContact CD1-CD2 3.73Å; L212-L271 HydrophobicContact CD2-CD2 3.6Å; L212-L271 HydrophobicContact CG-CD2 4.3Å; L220-L271 HydrophobicContact CD1-CD1 3.81Å; L220-L271 HydrophobicContact CD1-CG 3.96Å; F268-L271 HydrophobicContact CB-CD1 3.22Å; F268-L271 HydrophobicContact CD1-CD1 4.07Å; F268-L271 HydrophobicContact CG-CD1 3.77Å; H269-L271 PolarHBondContact O-N 2.88Å; H269-L271 VanDerWaalsContact O-N 3.14Å; L271-T273 PolarHBondContact O-N 2.75Å; L271-F274 PolarHBondContact O-N 3.14Å; L271-F274 VanDerWaalsContact O-N 3.08Å; L271-S275 PolarHBondContact O-N 3.26Å; L271-S275 VanDerWaalsContact O-N 3.15Å; L271-L278 HydrophobicContact CB-CD1 4Å; L271-L278 HydrophobicContact CD2-CD1 3.68Å; L271-L278 HydrophobicContact CG-CD1 4.1Å; L271-V295 HydrophobicContact CB-CB 4.24Å; L271-V295 HydrophobicContact CB-CG1 4.07Å; L271-V295 PolarHBondContact N-O 3.43Å; L271-A297 HydrophobicContact CD2-CB 4Å
272	Q	92.5	Very high	92	Very high	6 Å²	6	38 Å²	38	3%	0.028	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.1	174.3	74.5	-83.9	19.1	0	0	113.6	N270 F274 L278 R279 V282 F293 V295	N270-Q272 PolarHBondContact O-N 2.65Å; N270-Q272 PolarHBondContact OD1-NE2 2.66Å; N270-Q272 PolarHBondContact OD1-OE1 2.99Å; Q272-F274 VanDerWaalsContact C-N 3.31Å; Q272-L278 HydrophobicContact CB-CB 4.12Å; Q272-R279 HydrophobicContact CB-CB 4.31Å; Q272-R279 WeakPolarHBondContact O-CB 3.5Å; Q272-R279 PolarHBondContact O-NE 3.47Å; Q272-V282 HydrophobicContact CB-CG2 3.84Å; Q272-V282 HydrophobicContact CG-CG2 3.87Å; Q272-F293 PolarHBondContact NE2-O 3.15Å; Q272-V295 HydrophobicContact CB-CG2 4.39Å
273	T	90.3	Very high	92.2	Very high	14 Å²	14	33.6 Å²	33.6	9%	0.086	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-68.5	-33	171	-57.2	0	0	0	0	111.8	N270 L271 R279 G617 N618	N270-T273 PolarHBondContact ND2-OG1 3.2Å; N270-T273 WeakPolarHBondContact O-CB 3.4Å; N270-T273 PolarHBondContact O-N 2.77Å; N270-T273 PolarHBondContact O-OG1 3.09Å; L271-T273 PolarHBondContact O-N 2.75Å; T273-R279 PolarHBondContact O-NH2 3.44Å; T273-G617 PolarHBondContact OG1-O 3.41Å; T273-N618 WeakPolarHBondContact CB-OD1 3.34Å; T273-N618 WeakPolarHBondContact CG2-OD1 3.43Å; T273-N618 PolarHBondContact OG1-OD1 2.84Å
274	F	89.4	Confident	92.6	Very high	35 Å²	35	33.2 Å²	33.2	15%	0.154	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-11.8	-176.2	-52.8	-72.9	0	0	0	113.3	L220 E224 L226 H231 L271 Q272 N618	L220-F274 HydrophobicContact CD1-CB 3.77Å; L220-F274 HydrophobicContact CD1-CG 4.45Å; L220-F274 HydrophobicContact CD2-CB 4.24Å; L220-F274 HydrophobicContact CD2-CD2 4.31Å; L220-F274 HydrophobicContact CD2-CG 4.21Å; L220-F274 HydrophobicContact CG-CB 3.9Å; L220-F274 HydrophobicContact CG-CG 4.41Å; E224-F274 HydrophobicContact CB-CD1 4.05Å; E224-F274 HydrophobicContact CB-CE1 4.41Å; E224-F274 HydrophobicContact CG-CB 4.25Å; E224-F274 HydrophobicContact CG-CD1 3.89Å; E224-F274 HydrophobicContact CG-CG 4.34Å; L226-F274 HydrophobicContact CD2-CD1 4.36Å; L226-F274 HydrophobicContact CD2-CD2 4.41Å; L226-F274 HydrophobicContact CD2-CE1 3.87Å; L226-F274 HydrophobicContact CD2-CE2 3.93Å; L226-F274 HydrophobicContact CD2-CZ 3.63Å; H231-F274 HydrophobicContact CB-CE2 4.35Å; H231-F274 HydrophobicContact CB-CZ 4.31Å; H231-F274 AromaticContact CD2-CE2 3.93Å; H231-F274 AromaticContact CD2-CZ 3.53Å; H231-F274 AromaticContact CG-CZ 3.87Å; H231-F274 AromaticContact NE2-CZ 3.98Å; L271-F274 PolarHBondContact O-N 3.14Å; L271-F274 VanDerWaalsContact O-N 3.08Å; Q272-F274 VanDerWaalsContact C-N 3.31Å; F274-N618 WeakPolarHBondContact CZ-ND2 3.35Å
275	S	90.3	Very high	92.9	Very high	14 Å²	14	31.3 Å²	31.3	10%	0.098	14%	0.137	C	C	.	.			trans	-124	107.3	-178.3	175.9	0	0	0	0	111.6	L271 R277 L278 R279	L271-S275 PolarHBondContact O-N 3.26Å; L271-S275 VanDerWaalsContact O-N 3.15Å; S275-R277 PolarHBondContact O-N 2.87Å; S275-L278 PolarHBondContact O-N 3.08Å; S275-L278 VanDerWaalsContact O-N 3.08Å; S275-L278 WeakPolarHBondContact OG-CG 3.43Å; S275-L278 PolarHBondContact OG-N 3.25Å; S275-R279 WeakPolarHBondContact O-CB 3.4Å; S275-R279 PolarHBondContact O-N 2.99Å
276	R	90.1	Very high	93	Very high	138 Å²	138	32.1 Å²	32.1	52%	0.521	14%	0.141	S	C	.	.	H	α-helix	trans	-53.5	-41.4	174.4	-69	-175.9	-176.8	-178	4.6	112.2	L278 R279 F280 E541 P721	R276-L278 PolarHBondContact O-N 3.37Å; R276-R279 WeakPolarHBondContact O-CB 3.22Å; R276-R279 PolarHBondContact O-N 3.12Å; R276-F280 WeakPolarHBondContact O-CB 3.29Å; R276-F280 PolarHBondContact O-N 3.25Å; R276-E541 HydrophobicContact CB-CG 4.24Å; R276-E541 WeakPolarHBondContact CB-OE1 3.48Å; R276-E541 WeakPolarHBondContact CD-OE1 3.42Å; R276-E541 VanDerWaalsContact CG-OE1 3.31Å; R276-E541 WeakPolarHBondContact CG-OE1 3.43Å; R276-E541 IonicContact NE-OE1 3.74Å; R276-P721 VanDerWaalsContact NH2-CD 3.32Å
277	R	91.1	Very high	93	Very high	140 Å²	140	32.5 Å²	32.5	53%	0.528	14%	0.143	S	C	.	.	H	α-helix	trans	-61.1	-43.4	177.6	-179.7	176.4	168.5	131.9	-11.1	112	E210 S275 R281	E210-R277 PolarHBondContact O-NH2 3.01Å; S275-R277 PolarHBondContact O-N 2.87Å; R277-R281 WeakPolarHBondContact O-CG 3.2Å; R277-R281 PolarHBondContact O-N 3.15Å
278	L	93.3	Very high	93.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.1	-44.4	176.1	-68.3	177	0	0	0	110.7	W211 L271 Q272 S275 R276 F280 R281 V282 V295 L377	W211-L278 HydrophobicContact CB-CD2 4.13Å; W211-L278 HydrophobicContact CD2-CD2 4.47Å; W211-L278 HydrophobicContact CE3-CD2 3.62Å; W211-L278 HydrophobicContact CZ3-CD2 4.45Å; L271-L278 HydrophobicContact CB-CD1 4Å; L271-L278 HydrophobicContact CD2-CD1 3.68Å; L271-L278 HydrophobicContact CG-CD1 4.1Å; Q272-L278 HydrophobicContact CB-CB 4.12Å; S275-L278 PolarHBondContact O-N 3.08Å; S275-L278 VanDerWaalsContact O-N 3.08Å; S275-L278 WeakPolarHBondContact OG-CG 3.43Å; S275-L278 PolarHBondContact OG-N 3.25Å; R276-L278 PolarHBondContact O-N 3.37Å; L278-F280 VanDerWaalsContact C-N 3.34Å; L278-F280 PolarHBondContact O-N 3Å; L278-R281 PolarHBondContact O-N 3.47Å; L278-V282 WeakPolarHBondContact O-CG2 3.48Å; L278-V282 PolarHBondContact O-N 2.84Å; L278-V295 HydrophobicContact CD1-CG1 4.27Å; L278-L377 HydrophobicContact CD2-CD1 4.07Å
279	R	93.2	Very high	93.1	Very high	50 Å²	50	33.7 Å²	33.7	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-45.8	177.4	-157.5	-175.1	-62.3	169.6	-15.9	112.9	Q272 T273 S275 R276 G283 C538 A539 E541	Q272-R279 HydrophobicContact CB-CB 4.31Å; Q272-R279 WeakPolarHBondContact O-CB 3.5Å; Q272-R279 PolarHBondContact O-NE 3.47Å; T273-R279 PolarHBondContact O-NH2 3.44Å; S275-R279 WeakPolarHBondContact O-CB 3.4Å; S275-R279 PolarHBondContact O-N 2.99Å; R276-R279 WeakPolarHBondContact O-CB 3.22Å; R276-R279 PolarHBondContact O-N 3.12Å; R279-G283 WeakPolarHBondContact O-CA 3.49Å; R279-G283 PolarHBondContact O-N 3.13Å; R279-C538 HydrophobicContact CG-CB 4.16Å; R279-A539 VanDerWaalsContact CD-O 3.26Å; R279-A539 WeakPolarHBondContact CD-O 3.39Å; R279-E541 HydrophobicContact CB-CB 4.08Å; R279-E541 HydrophobicContact CG-CB 4.17Å; R279-E541 IonicContact CZ-OE2 2.85Å; R279-E541 IonicContact NE-OE2 2.55Å; R279-E541 IonicContact NH1-OE2 2.86Å; R279-E541 PolarHBondContact NH1-OE2 3.19Å; R279-E541 VanDerWaalsContact NH1-OE2 3.07Å
280	F	94.1	Very high	92.9	Very high	49 Å²	49	32.3 Å²	32.3	22%	0.215	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-51.3	175.3	-179.8	-106.2	0	0	0	111.4	R276 L278 G283 L284 E541	R276-F280 WeakPolarHBondContact O-CB 3.29Å; R276-F280 PolarHBondContact O-N 3.25Å; L278-F280 VanDerWaalsContact C-N 3.34Å; L278-F280 PolarHBondContact O-N 3Å; F280-G283 PolarHBondContact O-N 3.18Å; F280-L284 HydrophobicContact CD1-CD1 4.16Å; F280-L284 HydrophobicContact CE1-CD1 3.58Å; F280-L284 HydrophobicContact CE1-CG 4.39Å; F280-L284 HydrophobicContact CE2-CD1 4.41Å; F280-L284 HydrophobicContact CE2-CG 4.48Å; F280-L284 HydrophobicContact CZ-CD1 3.72Å; F280-L284 HydrophobicContact CZ-CD2 4.45Å; F280-L284 HydrophobicContact CZ-CG 4.25Å; F280-L284 WeakPolarHBondContact O-CG 3.44Å; F280-L284 PolarHBondContact O-N 2.79Å; F280-E541 HydrophobicContact CB-CB 3.93Å; F280-E541 HydrophobicContact CB-CG 3.98Å; F280-E541 HydrophobicContact CD2-CB 4.46Å; F280-E541 WeakPolarHBondContact CD2-O 3.39Å
281	R	94.5	Very high	93	Very high	35 Å²	35	30.2 Å²	30.2	13%	0.132	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-49.2	-178.6	-73.7	-179.7	172.2	-166	-8.5	112.6	L176 W211 R277 L278 G283 L284 L285	L176-R281 HydrophobicContact CD1-CG 4.42Å; L176-R281 HydrophobicContact CD2-CB 3.83Å; L176-R281 HydrophobicContact CD2-CG 4.14Å; L176-R281 WeakPolarHBondContact CD2-O 3.47Å; W211-R281 VanDerWaalsContact CE2-NH1 3.31Å; W211-R281 HydrophobicContact CE3-CB 4.36Å; W211-R281 VanDerWaalsContact CG-NH1 3.3Å; W211-R281 HydrophobicContact CH2-CB 3.57Å; W211-R281 HydrophobicContact CH2-CG 4.16Å; W211-R281 HydrophobicContact CZ2-CB 4.46Å; W211-R281 HydrophobicContact CZ3-CB 3.5Å; W211-R281 HydrophobicContact CZ3-CG 4.22Å; W211-R281 VanDerWaalsContact NE1-NH1 3.19Å; R277-R281 WeakPolarHBondContact O-CG 3.2Å; R277-R281 PolarHBondContact O-N 3.15Å; L278-R281 PolarHBondContact O-N 3.47Å; R281-G283 VanDerWaalsContact C-N 3.31Å; R281-G283 PolarHBondContact O-N 2.98Å; R281-L284 WeakPolarHBondContact O-CB 3.39Å; R281-L284 PolarHBondContact O-N 2.83Å; R281-L285 PolarHBondContact O-N 3.32Å; R281-L285 VanDerWaalsContact O-N 3.13Å
282	V	94.4	Very high	92.9	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.036	14%	0.142	C	C	.	.	H	α-helix	trans	-70.4	-28.8	178.5	-60.2	0	0	0	0	112.7	W211 Q272 L278 L284 L285 Q286 F293 V295	W211-V282 HydrophobicContact CZ3-CG1 4.44Å; Q272-V282 HydrophobicContact CB-CG2 3.84Å; Q272-V282 HydrophobicContact CG-CG2 3.87Å; L278-V282 WeakPolarHBondContact O-CG2 3.48Å; L278-V282 PolarHBondContact O-N 2.84Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L285 PolarHBondContact O-N 3.05Å; V282-Q286 WeakPolarHBondContact O-CB 3.49Å; V282-Q286 PolarHBondContact O-N 2.89Å; V282-F293 HydrophobicContact CB-CB 3.81Å; V282-F293 HydrophobicContact CG1-CB 4.27Å; V282-V295 HydrophobicContact CG1-CG2 3.42Å; V282-V295 VanDerWaalsContact CG1-CG2 3.42Å
283	G	94.3	Very high	93	Very high	19 Å²	19	31.5 Å²	31.5	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-38.6	171	0	0	0	0	0	112.6	R279 F280 R281 Q286 E287	R279-G283 WeakPolarHBondContact O-CA 3.49Å; R279-G283 PolarHBondContact O-N 3.13Å; F280-G283 PolarHBondContact O-N 3.18Å; R281-G283 VanDerWaalsContact C-N 3.31Å; R281-G283 PolarHBondContact O-N 2.98Å; G283-Q286 PolarHBondContact O-N 2.83Å; G283-E287 PolarHBondContact O-N 2.89Å
284	L	95.4	Very high	93.2	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-41.5	172.7	-68.7	177.9	0	0	0	112.4	P169 Q172 G173 L176 F280 R281 V282 E287 Y288	P169-L284 HydrophobicContact CB-CD2 4.03Å; Q172-L284 HydrophobicContact CB-CD1 3.93Å; Q172-L284 HydrophobicContact CB-CD2 3.83Å; Q172-L284 HydrophobicContact CB-CG 4.46Å; G173-L284 WeakPolarHBondContact CA-O 3.3Å; L176-L284 HydrophobicContact CD2-CB 4.2Å; L176-L284 HydrophobicContact CD2-CD1 4.42Å; F280-L284 HydrophobicContact CD1-CD1 4.16Å; F280-L284 HydrophobicContact CE1-CD1 3.58Å; F280-L284 HydrophobicContact CE1-CG 4.39Å; F280-L284 HydrophobicContact CE2-CD1 4.41Å; F280-L284 HydrophobicContact CE2-CG 4.48Å; F280-L284 HydrophobicContact CZ-CD1 3.72Å; F280-L284 HydrophobicContact CZ-CD2 4.45Å; F280-L284 HydrophobicContact CZ-CG 4.25Å; F280-L284 WeakPolarHBondContact O-CG 3.44Å; F280-L284 PolarHBondContact O-N 2.79Å; R281-L284 WeakPolarHBondContact O-CB 3.39Å; R281-L284 PolarHBondContact O-N 2.83Å; V282-L284 VanDerWaalsContact C-N 3.34Å; L284-E287 PolarHBondContact O-N 3.12Å; L284-Y288 PolarHBondContact O-N 2.97Å; L284-Y288 VanDerWaalsContact O-N 3.09Å
285	L	96.1	Very high	93.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-42.2	174.5	-65.7	176.6	0	0	0	111.4	L176 L177 I180 W211 R281 V282 E287 Y288 F289 F293	L176-L285 HydrophobicContact CD2-CD2 4.13Å; L176-L285 HydrophobicContact CD2-CG 3.95Å; L176-L285 HydrophobicContact CG-CD2 4.23Å; L177-L285 HydrophobicContact CB-CD2 4.13Å; I180-L285 HydrophobicContact CD1-CD1 3.96Å; I180-L285 HydrophobicContact CD1-CD2 4.24Å; W211-L285 HydrophobicContact CH2-CD1 4.45Å; R281-L285 PolarHBondContact O-N 3.32Å; R281-L285 VanDerWaalsContact O-N 3.13Å; V282-L285 PolarHBondContact O-N 3.05Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-E287 PolarHBondContact O-N 2.81Å; L285-Y288 PolarHBondContact O-N 3.06Å; L285-Y288 VanDerWaalsContact O-N 3.13Å; L285-F289 WeakPolarHBondContact O-CD2 3.46Å; L285-F289 PolarHBondContact O-N 3.09Å; L285-F293 HydrophobicContact CB-CD1 3.84Å; L285-F293 HydrophobicContact CB-CD2 4.07Å; L285-F293 HydrophobicContact CB-CE1 3.82Å; L285-F293 HydrophobicContact CB-CE2 4.06Å; L285-F293 HydrophobicContact CB-CG 4.01Å; L285-F293 HydrophobicContact CB-CZ 3.94Å; L285-F293 HydrophobicContact CD1-CD1 3.82Å; L285-F293 HydrophobicContact CD1-CE1 3.88Å; L285-F293 HydrophobicContact CG-CD1 4.49Å; L285-F293 HydrophobicContact CG-CE1 4.41Å
286	Q	94.5	Very high	93.7	Very high	18 Å²	18	31.7 Å²	31.7	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-42.8	175.2	169.9	169.6	-31.3	0	0	111.7	V282 G283 Y288 G290 C291 N292 F293 S537 T574	V282-Q286 WeakPolarHBondContact O-CB 3.49Å; V282-Q286 PolarHBondContact O-N 2.89Å; G283-Q286 PolarHBondContact O-N 2.83Å; Q286-Y288 VanDerWaalsContact C-N 3.33Å; Q286-Y288 PolarHBondContact O-N 3.43Å; Q286-G290 VanDerWaalsContact O-CA 3.28Å; Q286-G290 WeakPolarHBondContact O-CA 3.46Å; Q286-G290 PolarHBondContact O-N 3.37Å; Q286-C291 WeakPolarHBondContact CA-O 3.31Å; Q286-C291 WeakPolarHBondContact CB-O 3.49Å; Q286-C291 WeakPolarHBondContact CG-O 3.41Å; Q286-N292 PolarHBondContact OE1-OD1 3.29Å; Q286-F293 HydrophobicContact CB-CD2 4.26Å; Q286-S537 PolarHBondContact NE2-OG 3.11Å; Q286-T574 HydrophobicContact CG-CG2 4.37Å; Q286-T574 PolarHBondContact NE2-OG1 3.44Å
287	E	94.4	Very high	94	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-39.8	173.7	-78.3	-65.9	140.8	0	0	112.5	P169 L170 G283 L284 L285 R572 S573 T574 Y645	P169-E287 HydrophobicContact CB-CG 4.4Å; L170-E287 HydrophobicContact CD2-CB 4.2Å; L170-E287 WeakPolarHBondContact CD2-O 3.18Å; G283-E287 PolarHBondContact O-N 2.89Å; L284-E287 PolarHBondContact O-N 3.12Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-E287 PolarHBondContact O-N 2.81Å; E287-R572 VanDerWaalsContact OE1-CB 3.32Å; E287-R572 WeakPolarHBondContact OE1-CB 3.28Å; E287-S573 PolarHBondContact OE1-N 2.77Å; E287-S573 PolarHBondContact OE2-N 2.9Å; E287-S573 PolarHBondContact OE2-OG 2.89Å; E287-T574 VanDerWaalsContact OE1-CB 3.28Å; E287-T574 WeakPolarHBondContact OE1-CB 3.44Å; E287-T574 WeakPolarHBondContact OE1-CG2 3.22Å; E287-T574 PolarHBondContact OE1-N 2.87Å; E287-T574 PolarHBondContact OE1-OG1 2.75Å; E287-Y645 PolarHBondContact OE2-OH 3.39Å
288	Y	95.4	Very high	94.1	Very high	43 Å²	43	19 Å²	19	17%	0.169	10%	0.098	C	C	.	.	H	α-helix	trans	-71.8	-40.5	-178.9	-179.3	-104.3	0	0	0	113.2	R5 E174 L177 F190 L284 L285 Q286	R5-Y288 PolarHBondContact NH1-OH 2.92Å; E174-Y288 HydrophobicContact CB-CD2 3.82Å; E174-Y288 HydrophobicContact CB-CE2 3.59Å; E174-Y288 HydrophobicContact CG-CD2 4.5Å; E174-Y288 HydrophobicContact CG-CE2 3.79Å; L177-Y288 HydrophobicContact CD2-CD1 4.01Å; L177-Y288 HydrophobicContact CD2-CE1 3.62Å; F190-Y288 HydrophobicContact CE2-CE1 4.43Å; F190-Y288 HydrophobicContact CZ-CE1 4.21Å; L284-Y288 PolarHBondContact O-N 2.97Å; L284-Y288 VanDerWaalsContact O-N 3.09Å; L285-Y288 PolarHBondContact O-N 3.06Å; L285-Y288 VanDerWaalsContact O-N 3.13Å; Q286-Y288 VanDerWaalsContact C-N 3.33Å; Q286-Y288 PolarHBondContact O-N 3.43Å
289	F	93.9	Very high	94.2	Very high	34 Å²	34	19 Å²	19	15%	0.149	10%	0.098	C	C	.	.	H	α-helix	trans	-89.8	-28.3	-178.3	-82.1	-91.9	0	0	0	114	L177 F190 Y194 L285 F293 F381	L177-F289 HydrophobicContact CD1-CE2 4.33Å; L177-F289 HydrophobicContact CD1-CZ 4.5Å; L177-F289 HydrophobicContact CD2-CE2 3.65Å; L177-F289 HydrophobicContact CD2-CZ 3.72Å; F190-F289 HydrophobicContact CE1-CE1 4.06Å; F190-F289 HydrophobicContact CE1-CZ 4.35Å; F190-F289 HydrophobicContact CZ-CE1 4.12Å; F190-F289 HydrophobicContact CZ-CZ 4.05Å; Y194-F289 HydrophobicContact CE2-CE1 4.08Å; L285-F289 WeakPolarHBondContact O-CD2 3.46Å; L285-F289 PolarHBondContact O-N 3.09Å; F289-F293 HydrophobicContact CB-CE2 3.77Å; F289-F293 HydrophobicContact CB-CZ 4.17Å; F289-F293 HydrophobicContact CD1-CZ 4.47Å; F289-F293 HydrophobicContact CD2-CE1 4.42Å; F289-F293 AromaticContact CD2-CE2 3.77Å; F289-F293 HydrophobicContact CD2-CE2 3.77Å; F289-F293 AromaticContact CD2-CZ 3.35Å; F289-F293 HydrophobicContact CD2-CZ 3.35Å; F289-F293 HydrophobicContact CE2-CE1 4.49Å; F289-F293 AromaticContact CE2-CZ 3.72Å; F289-F293 HydrophobicContact CE2-CZ 3.72Å; F289-F293 AromaticContact CG-CE2 3.91Å; F289-F293 HydrophobicContact CG-CE2 3.91Å; F289-F293 AromaticContact CG-CZ 3.77Å; F289-F293 HydrophobicContact CG-CZ 3.77Å; F289-F293 HydrophobicContact CZ-CZ 4.45Å; F289-F381 HydrophobicContact CD1-CD2 4.43Å; F289-F381 HydrophobicContact CD1-CE2 4.32Å; F289-F381 HydrophobicContact CE1-CD2 4.35Å; F289-F381 AromaticContact CE1-CE2 3.8Å; F289-F381 HydrophobicContact CE1-CE2 3.8Å; F289-F381 HydrophobicContact CZ-CE2 4.03Å
290	G	90.9	Very high	94.1	Very high	15 Å²	15	16.7 Å²	16.7	16%	0.155	9%	0.089	C	C	.	.	S	Bend	trans	75.2	19.5	-172.4	0	0	0	0	0	114.4	Q286 Y385	Q286-G290 VanDerWaalsContact O-CA 3.28Å; Q286-G290 WeakPolarHBondContact O-CA 3.46Å; Q286-G290 PolarHBondContact O-N 3.37Å; G290-Y385 PolarHBondContact O-OH 2.62Å
291	C	91.9	Very high	93.9	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	8%	0.08	C	C	.	.	S	Bend	trans	-132.2	162.1	176.3	69	0	0	0	0	111.2	Q286 F293 N382 Y385	Q286-C291 WeakPolarHBondContact CA-O 3.31Å; Q286-C291 WeakPolarHBondContact CB-O 3.49Å; Q286-C291 WeakPolarHBondContact CG-O 3.41Å; C291-F293 WeakPolarHBondContact O-CD2 3.23Å; C291-N382 PolarHBondContact SG-OD1 2.81Å; C291-Y385 HydrophobicContact CB-CD1 3.54Å; C291-Y385 HydrophobicContact CB-CD2 4.41Å; C291-Y385 HydrophobicContact CB-CE1 3.85Å; C291-Y385 HydrophobicContact CB-CG 3.83Å
292	N	90.6	Very high	93.3	Very high	29 Å²	29	16.1 Å²	16.1	16%	0.155	10%	0.096	C	C	.	.			trans	-69.3	141.5	179.1	-83.2	-17.9	0	0	0	111.9	Q286 I533 E536 S537	Q286-N292 PolarHBondContact OE1-OD1 3.29Å; N292-I533 PolarHBondContact ND2-O 2.82Å; N292-I533 VanDerWaalsContact OD1-CG2 3.3Å; N292-I533 WeakPolarHBondContact OD1-CG2 3.45Å; N292-E536 WeakPolarHBondContact ND2-CB 3.21Å; N292-S537 PolarHBondContact OD1-OG 3.47Å
293	F	94.6	Very high	92.8	Very high	5 Å²	5	21 Å²	21	2%	0.022	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.9	172	-80.9	-107.9	0	0	0	109.2	Q272 V282 L285 Q286 F289 C291 I379 S380 F381	Q272-F293 PolarHBondContact NE2-O 3.15Å; V282-F293 HydrophobicContact CB-CB 3.81Å; V282-F293 HydrophobicContact CG1-CB 4.27Å; L285-F293 HydrophobicContact CB-CD1 3.84Å; L285-F293 HydrophobicContact CB-CD2 4.07Å; L285-F293 HydrophobicContact CB-CE1 3.82Å; L285-F293 HydrophobicContact CB-CE2 4.06Å; L285-F293 HydrophobicContact CB-CG 4.01Å; L285-F293 HydrophobicContact CB-CZ 3.94Å; L285-F293 HydrophobicContact CD1-CD1 3.82Å; L285-F293 HydrophobicContact CD1-CE1 3.88Å; L285-F293 HydrophobicContact CG-CD1 4.49Å; L285-F293 HydrophobicContact CG-CE1 4.41Å; Q286-F293 HydrophobicContact CB-CD2 4.26Å; F289-F293 HydrophobicContact CB-CE2 3.77Å; F289-F293 HydrophobicContact CB-CZ 4.17Å; F289-F293 HydrophobicContact CD1-CZ 4.47Å; F289-F293 HydrophobicContact CD2-CE1 4.42Å; F289-F293 AromaticContact CD2-CE2 3.77Å; F289-F293 HydrophobicContact CD2-CE2 3.77Å; F289-F293 AromaticContact CD2-CZ 3.35Å; F289-F293 HydrophobicContact CD2-CZ 3.35Å; F289-F293 HydrophobicContact CE2-CE1 4.49Å; F289-F293 AromaticContact CE2-CZ 3.72Å; F289-F293 HydrophobicContact CE2-CZ 3.72Å; F289-F293 AromaticContact CG-CE2 3.91Å; F289-F293 HydrophobicContact CG-CE2 3.91Å; F289-F293 AromaticContact CG-CZ 3.77Å; F289-F293 HydrophobicContact CG-CZ 3.77Å; F289-F293 HydrophobicContact CZ-CZ 4.45Å; C291-F293 WeakPolarHBondContact O-CD2 3.23Å; F293-I379 HydrophobicContact CD1-CG2 3.59Å; F293-I379 HydrophobicContact CE1-CG2 4.3Å; F293-S380 WeakPolarHBondContact CA-O 3.44Å; F293-F381 HydrophobicContact CD1-CB 3.78Å; F293-F381 HydrophobicContact CD1-CG 4.25Å; F293-F381 HydrophobicContact CD2-CB 4.06Å; F293-F381 HydrophobicContact CE1-CB 3.54Å; F293-F381 AromaticContact CE1-CD1 3.93Å; F293-F381 HydrophobicContact CE1-CD1 3.93Å; F293-F381 AromaticContact CE1-CD2 3.97Å; F293-F381 HydrophobicContact CE1-CD2 3.97Å; F293-F381 AromaticContact CE1-CG 3.57Å; F293-F381 HydrophobicContact CE1-CG 3.57Å; F293-F381 HydrophobicContact CE2-CB 3.81Å; F293-F381 HydrophobicContact CE2-CD2 4.31Å; F293-F381 HydrophobicContact CE2-CG 4.32Å; F293-F381 HydrophobicContact CG-CB 4.01Å; F293-F381 HydrophobicContact CZ-CB 3.54Å; F293-F381 HydrophobicContact CZ-CD1 4.36Å; F293-F381 AromaticContact CZ-CD2 3.56Å; F293-F381 HydrophobicContact CZ-CD2 3.56Å; F293-F381 HydrophobicContact CZ-CE2 4.29Å; F293-F381 AromaticContact CZ-CG 3.59Å; F293-F381 HydrophobicContact CZ-CG 3.59Å
294	T	94	Very high	92.2	Very high	47 Å²	47	23.5 Å²	23.5	29%	0.288	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.4	176.5	57.6	0	0	0	0	111.3	I379 S380	T294-I379 WeakPolarHBondContact O-CA 3.47Å; T294-S380 PolarHBondContact N-O 2.82Å; T294-S380 PolarHBondContact O-N 2.82Å; T294-S380 WeakPolarHBondContact OG1-CB 3.48Å
295	V	95.4	Very high	91.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.8	-179.7	-174.6	0	0	0	0	110.1	N270 L271 Q272 L278 V282 L377 C378	N270-V295 CarbonylContact C-O 3.58Å; N270-V295 WeakPolarHBondContact CA-O 3.49Å; N270-V295 PolarHBondContact N-O 2.82Å; N270-V295 VanDerWaalsContact N-O 3.11Å; L271-V295 HydrophobicContact CB-CB 4.24Å; L271-V295 HydrophobicContact CB-CG1 4.07Å; L271-V295 PolarHBondContact N-O 3.43Å; Q272-V295 HydrophobicContact CB-CG2 4.39Å; L278-V295 HydrophobicContact CD1-CG1 4.27Å; V282-V295 HydrophobicContact CG1-CG2 3.42Å; V282-V295 VanDerWaalsContact CG1-CG2 3.42Å; V295-L377 HydrophobicContact CG1-CD1 3.55Å; V295-L377 HydrophobicContact CG1-CD2 3.8Å; V295-L377 HydrophobicContact CG1-CG 3.55Å; V295-C378 WeakPolarHBondContact CA-O 3.22Å
296	T	95.5	Very high	91.1	Very high	19 Å²	19	28.1 Å²	28.1	12%	0.117	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.1	172.3	-59.3	0	0	0	0	108.6	R267 F268 Y298 C378	R267-T296 HydrophobicContact CG-CG2 3.77Å; F268-T296 CarbonylContact O-C 3.53Å; F268-T296 WeakPolarHBondContact O-CA 3.45Å; F268-T296 WeakPolarHBondContact O-CG2 3.36Å; T296-Y298 HydrophobicContact CG2-CD2 4.2Å; T296-Y298 HydrophobicContact CG2-CE2 3.55Å; T296-C378 PolarHBondContact N-O 2.92Å; T296-C378 PolarHBondContact O-N 2.85Å
297	A	95.6	Very high	90.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.8	176.2	0	0	0	0	0	111	L212 R267 F268 L271 H376	L212-A297 HydrophobicContact CD2-CB 3.53Å; R267-A297 CarbonylContact C-O 3.57Å; R267-A297 WeakPolarHBondContact CA-O 3.4Å; F268-A297 HydrophobicContact CB-CB 4.42Å; F268-A297 PolarHBondContact N-O 2.99Å; F268-A297 PolarHBondContact O-N 2.79Å; L271-A297 HydrophobicContact CD2-CB 4Å; A297-H376 WeakPolarHBondContact CA-O 3.24Å
298	Y	94.7	Very high	90.5	Very high	13 Å²	13	28 Å²	28	5%	0.051	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.8	178	-71	-99.9	0	0	0	109	I235 R267 T296 L307 F309 L375 H376	I235-Y298 HydrophobicContact CD1-CD1 3.62Å; I235-Y298 HydrophobicContact CD1-CE1 3.95Å; R267-Y298 HydrophobicContact CB-CD1 4.16Å; R267-Y298 HydrophobicContact CB-CE1 4.06Å; R267-Y298 VanDerWaalsContact CD-CZ 3.49Å; R267-Y298 VanDerWaalsContact CD-OH 3.32Å; R267-Y298 WeakPolarHBondContact CD-OH 3.35Å; R267-Y298 HydrophobicContact CG-CD1 4.33Å; R267-Y298 HydrophobicContact CG-CE1 3.91Å; R267-Y298 HydrophobicContact CG-CE2 4.43Å; T296-Y298 HydrophobicContact CG2-CD2 4.2Å; T296-Y298 HydrophobicContact CG2-CE2 3.55Å; Y298-L307 HydrophobicContact CD1-CD1 4.27Å; Y298-L307 HydrophobicContact CE1-CD1 4.44Å; Y298-F309 HydrophobicContact CE1-CE1 4.44Å; Y298-F309 AromaticContact CE1-CZ 3.89Å; Y298-F309 HydrophobicContact CE1-CZ 3.89Å; Y298-F309 AromaticContact CZ-CZ 3.87Å; Y298-F309 VanDerWaalsContact OH-CE1 3.31Å; Y298-F309 WeakPolarHBondContact OH-CE1 3.26Å; Y298-L375 WeakPolarHBondContact O-CA 3.04Å; Y298-H376 WeakPolarHBondContact CB-CE1 3.37Å; Y298-H376 WeakPolarHBondContact CB-NE2 3.12Å; Y298-H376 AromaticContact CD2-CD2 3.86Å; Y298-H376 AromaticContact CD2-NE2 3.28Å; Y298-H376 VanDerWaalsContact CD2-NE2 3.28Å; Y298-H376 WeakPolarHBondContact CD2-NE2 3.22Å; Y298-H376 AromaticContact CG-CE1 3.69Å; Y298-H376 AromaticContact CG-NE2 3.44Å; Y298-H376 PolarHBondContact N-O 2.94Å; Y298-H376 PolarHBondContact O-N 2.9Å; Y298-H376 VanDerWaalsContact O-N 3.13Å
299	L	94.5	Very high	90.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.4	173.3	173.7	59.4	0	0	0	108.2	Y214 V217 W257 Y260 G265 I266 H373 T374 L375	Y214-L299 HydrophobicContact CD2-CD1 3.72Å; Y214-L299 HydrophobicContact CD2-CD2 3.98Å; Y214-L299 HydrophobicContact CE2-CD1 3.99Å; Y214-L299 HydrophobicContact CE2-CD2 3.74Å; Y214-L299 HydrophobicContact CE2-CG 4.47Å; V217-L299 HydrophobicContact CG1-CD2 4.04Å; W257-L299 HydrophobicContact CH2-CD2 4.26Å; W257-L299 HydrophobicContact CZ3-CD2 4.11Å; Y260-L299 HydrophobicContact CE2-CD1 4.35Å; Y260-L299 HydrophobicContact CE2-CD2 4.1Å; Y260-L299 HydrophobicContact CE2-CG 3.69Å; G265-L299 CarbonylContact C-O 3.6Å; G265-L299 WeakPolarHBondContact CA-O 3.4Å; I266-L299 HydrophobicContact CB-CB 4.41Å; I266-L299 HydrophobicContact CD1-CD2 4.21Å; I266-L299 PolarHBondContact N-O 3.15Å; I266-L299 PolarHBondContact O-N 2.85Å; L299-H373 HydrophobicContact CD1-CB 4.22Å; L299-T374 CarbonylContact C-O 3.55Å; L299-T374 WeakPolarHBondContact CA-O 3.4Å; L299-L375 HydrophobicContact CB-CD1 4.12Å; L299-L375 HydrophobicContact CD1-CD1 4.48Å
300	L	92	Very high	89.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.7	177.7	-49.4	-175.1	0	0	0	110.3	I235 Y260 L307 H373 T374	I235-L300 HydrophobicContact CD1-CD2 4.07Å; Y260-L300 PolarHBondContact OH-O 3.04Å; L300-L307 HydrophobicContact CD1-CD1 4.21Å; L300-L307 HydrophobicContact CD2-CD1 4.08Å; L300-H373 WeakPolarHBondContact O-CA 3.31Å; L300-H373 VanDerWaalsContact O-CB 3.32Å; L300-H373 WeakPolarHBondContact O-CB 3.34Å; L300-T374 PolarHBondContact N-O 3.13Å; L300-T374 PolarHBondContact O-N 3.01Å
301	S	88.7	Confident	89.8	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.035	19%	0.19	C	C	.	.			trans	-72.1	-175.9	177	77.3	0	0	0	0	111.1	G263 K303 H366	G263-S301 WeakPolarHBondContact CA-OG 3.49Å; G263-S301 PolarHBondContact O-OG 2.82Å; S301-K303 PolarHBondContact O-N 3.16Å; S301-K303 WeakPolarHBondContact OG-CB 3.49Å; S301-K303 PolarHBondContact OG-N 2.83Å; S301-K303 VanDerWaalsContact OG-N 3.16Å; S301-H366 PolarHBondContact O-CE1 3.11Å; S301-H366 VanDerWaalsContact O-CE1 3.27Å
302	S	82.8	Confident	89.8	Confident	67 Å²	67	36.3 Å²	36.3	47%	0.469	19%	0.194	S	C	.	.	S	Bend	trans	-70.5	-14.2	172.7	53.5	0	0	0	0	113.4	K372	S302-K372 WeakPolarHBondContact CB-O 3.47Å; S302-K372 PolarHBondContact N-O 2.62Å
303	K	83.1	Confident	89.9	Confident	108 Å²	108	38.3 Å²	38.3	47%	0.47	21%	0.205	S	C	.	.	S	Bend	trans	-67.8	130.3	-179.2	-167	175.6	179.7	178.8	0	109.5	S301 T305	S301-K303 PolarHBondContact O-N 3.16Å; S301-K303 WeakPolarHBondContact OG-CB 3.49Å; S301-K303 PolarHBondContact OG-N 2.83Å; S301-K303 VanDerWaalsContact OG-N 3.16Å; K303-T305 PolarHBondContact O-N 2.69Å; K303-T305 PolarHBondContact O-OG1 2.82Å
304	P	81.5	Confident	89.9	Confident	73 Å²	73	39.3 Å²	39.3	47%	0.474	21%	0.21	S	C	.	.			trans	-51	129.1	172.7	-25	33.7	0	0	0	109.5	H366	P304-H366 WeakPolarHBondContact CA-O 3.44Å
305	T	83.2	Confident	90	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.043	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.9	-177.2	-54.2	0	0	0	0	108.7	D237 K303 L307 H366	D237-T305 WeakPolarHBondContact OD1-CA 3.37Å; K303-T305 PolarHBondContact O-N 2.69Å; K303-T305 PolarHBondContact O-OG1 2.82Å; T305-L307 HydrophobicContact CG2-CD2 3.8Å; T305-L307 HydrophobicContact CG2-CG 4Å; T305-H366 PolarHBondContact N-O 2.85Å; T305-H366 PolarHBondContact O-N 2.64Å
306	E	86.4	Confident	90.1	Very high	98 Å²	98	37.4 Å²	37.4	46%	0.458	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118	172.2	-166.2	-179	140.2	0	0	111.8	D237 T363 I364	D237-E306 PolarHBondContact OD1-N 3.08Å; E306-T363 HydrophobicContact CG-CG2 3.57Å; E306-T363 WeakPolarHBondContact OE1-CG2 3.38Å; E306-I364 CarbonylContact C-O 3.56Å; E306-I364 WeakPolarHBondContact CA-O 3.38Å
307	L	87.7	Confident	90.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.6	179.9	-55.4	179.4	0	0	0	110	I235 L240 Y298 L300 T305 F309 T363 I364	I235-L307 HydrophobicContact CD1-CD1 4.21Å; I235-L307 HydrophobicContact CG2-CD1 4.09Å; I235-L307 HydrophobicContact CG2-CD2 3.37Å; I235-L307 HydrophobicContact CG2-CG 4.35Å; L240-L307 HydrophobicContact CD1-CB 4.39Å; L240-L307 HydrophobicContact CG-CD2 4.43Å; Y298-L307 HydrophobicContact CD1-CD1 4.27Å; Y298-L307 HydrophobicContact CE1-CD1 4.44Å; L300-L307 HydrophobicContact CD1-CD1 4.21Å; L300-L307 HydrophobicContact CD2-CD1 4.08Å; T305-L307 HydrophobicContact CG2-CD2 3.8Å; T305-L307 HydrophobicContact CG2-CG 4Å; L307-F309 HydrophobicContact CB-CE2 3.74Å; L307-F309 HydrophobicContact CB-CZ 4.23Å; L307-T363 CarbonylContact O-C 3.55Å; L307-T363 VanDerWaalsContact O-CA 3.29Å; L307-T363 WeakPolarHBondContact O-CA 3.42Å; L307-I364 HydrophobicContact CB-CB 4.4Å; L307-I364 PolarHBondContact N-O 3.45Å; L307-I364 PolarHBondContact O-N 2.99Å
308	S	87.6	Confident	90.2	Very high	22 Å²	22	36.5 Å²	36.5	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.3	174.6	-72.5	0	0	0	0	111.1	T363	S308-T363 WeakPolarHBondContact OG-CG2 3.34Å; S308-T363 PolarHBondContact OG-OG1 3.21Å
309	F	88.3	Confident	90.2	Very high	36 Å²	36	36 Å²	36	16%	0.158	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.7	177.8	-62.1	-94.3	0	0	0	110.5	L240 Y298 L307 A361 H362 I364	L240-F309 HydrophobicContact CD1-CD1 3.94Å; L240-F309 HydrophobicContact CD1-CE1 3.2Å; L240-F309 HydrophobicContact CD1-CE2 4.12Å; L240-F309 HydrophobicContact CD1-CZ 3.31Å; Y298-F309 HydrophobicContact CE1-CE1 4.44Å; Y298-F309 AromaticContact CE1-CZ 3.89Å; Y298-F309 HydrophobicContact CE1-CZ 3.89Å; Y298-F309 AromaticContact CZ-CZ 3.87Å; Y298-F309 VanDerWaalsContact OH-CE1 3.31Å; Y298-F309 WeakPolarHBondContact OH-CE1 3.26Å; L307-F309 HydrophobicContact CB-CE2 3.74Å; L307-F309 HydrophobicContact CB-CZ 4.23Å; F309-A361 WeakPolarHBondContact O-CB 3.46Å; F309-H362 WeakPolarHBondContact CB-O 3.34Å; F309-H362 AromaticContact CD2-CD2 3.67Å; F309-H362 AromaticContact CD2-CE1 3.78Å; F309-H362 AromaticContact CD2-NE2 3.26Å; F309-H362 VanDerWaalsContact CD2-NE2 3.26Å; F309-H362 WeakPolarHBondContact CD2-NE2 3.35Å; F309-H362 AromaticContact CE2-NE2 3.77Å; F309-H362 AromaticContact CG-CE1 3.63Å; F309-H362 AromaticContact CG-NE2 3.6Å; F309-H362 PolarHBondContact N-O 2.59Å; F309-H362 PolarHBondContact O-N 3.44Å; F309-I364 HydrophobicContact CD2-CD1 4.46Å; F309-I364 HydrophobicContact CD2-CG1 4.39Å; F309-I364 HydrophobicContact CE2-CD1 3.62Å; F309-I364 HydrophobicContact CE2-CG1 3.9Å; F309-I364 HydrophobicContact CZ-CD1 4.31Å
310	N	87.3	Confident	90.2	Very high	119 Å²	119	36 Å²	36	64%	0.636	19%	0.19	S	C	*	.			trans	-67.4	-179.4	173.4	-69	-22.6	0	0	0	111.3	L312	N310-L312 PolarHBondContact O-N 3.34Å
311	Q	90.1	Very high	90.2	Very high	97 Å²	97	36.9 Å²	36.9	45%	0.453	19%	0.194	S	C	.	.			trans	-56.8	126.1	174.3	-69.9	-174.1	-36	0	0	110.9	N332 G359 F360 A361	Q311-N332 PolarHBondContact NE2-ND2 2.85Å; Q311-G359 PolarHBondContact NE2-O 2.88Å; Q311-F360 WeakPolarHBondContact CA-O 3.44Å; Q311-A361 HydrophobicContact CG-CB 4.45Å
312	L	92	Very high	90.4	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.089	20%	0.203	C	C	.	.			trans	-64.4	136.2	177.2	-64.2	173.9	0	0	0	110.7	N310 H314 L316 I356 K358 G359 F360	N310-L312 PolarHBondContact O-N 3.34Å; L312-H314 VanDerWaalsContact C-N 3.33Å; L312-H314 WeakPolarHBondContact CB-O 3.4Å; L312-L316 HydrophobicContact CD1-CB 3.88Å; L312-L316 HydrophobicContact CD1-CD2 3.91Å; L312-L316 HydrophobicContact CD2-CD2 4.38Å; L312-I356 HydrophobicContact CD1-CB 4.02Å; L312-I356 HydrophobicContact CD1-CG2 3.68Å; L312-K358 WeakPolarHBondContact O-CG 3.36Å; L312-G359 PolarHBondContact O-N 3.27Å; L312-F360 WeakPolarHBondContact CG-O 2.93Å; L312-F360 PolarHBondContact N-O 2.98Å
313	D	92.6	Very high	90.7	Very high	71 Å²	71	36.3 Å²	36.3	38%	0.38	19%	0.187	S	C	.	.	S	Bend	trans	-90.6	-0.5	170.7	68.3	-27.6	0	0	0	113	K358 Q383	D313-K358 VanDerWaalsContact O-CD 3.29Å; D313-K358 WeakPolarHBondContact O-CD 3.24Å; D313-K358 VanDerWaalsContact O-CE 3.26Å; D313-K358 WeakPolarHBondContact O-CE 2.99Å; D313-K358 PolarHBondContact O-NZ 2.93Å; D313-Q383 PolarHBondContact OD2-NE2 2.99Å
314	H	95	Very high	91	Very high	26 Å²	26	32.1 Å²	32.1	12%	0.12	17%	0.171	C	C	.	.	S	Bend	trans	-137.5	167.8	-175.6	58.4	-91.1	0	0	0	111.6	L312 K358 S380 F381 Q383	L312-H314 VanDerWaalsContact C-N 3.33Å; L312-H314 WeakPolarHBondContact CB-O 3.4Å; H314-K358 VanDerWaalsContact O-CA 3.23Å; H314-K358 WeakPolarHBondContact O-CA 3.49Å; H314-K358 PolarHBondContact O-N 3.18Å; H314-S380 WeakPolarHBondContact CD2-CB 3.32Å; H314-S380 PolarHBondContact CD2-OG 2.82Å; H314-S380 PolarHBondContact NE2-OG 2.79Å; H314-F381 WeakPolarHBondContact CB-O 3.28Å; H314-Q383 HydrophobicContact CB-CB 3.96Å; H314-Q383 HydrophobicContact CB-CG 4.38Å
315	D	96.9	Very high	91.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.1	167.5	-74.2	-74.6	0	0	0	109.9	Q195 Y355 P357 K358 S380 F381 N382	Q195-D315 PolarHBondContact NE2-OD2 3.19Å; D315-Y355 HydrophobicContact CB-CE2 4.11Å; D315-Y355 PolarHBondContact OD1-OH 3.48Å; D315-P357 VanDerWaalsContact OD1-CA 3.31Å; D315-P357 WeakPolarHBondContact OD1-CA 3.19Å; D315-K358 PolarHBondContact OD1-N 3.03Å; D315-S380 WeakPolarHBondContact O-CA 3.36Å; D315-F381 HydrophobicContact CB-CD1 3.88Å; D315-F381 HydrophobicContact CB-CD2 4.21Å; D315-F381 HydrophobicContact CB-CE1 3.49Å; D315-F381 VanDerWaalsContact CB-CE1 3.49Å; D315-F381 HydrophobicContact CB-CE2 3.91Å; D315-F381 HydrophobicContact CB-CG 4.21Å; D315-F381 HydrophobicContact CB-CZ 3.51Å; D315-F381 PolarHBondContact N-O 3.38Å; D315-F381 VanDerWaalsContact O-CD1 3.23Å; D315-F381 WeakPolarHBondContact O-CD1 3.45Å; D315-F381 PolarHBondContact O-N 3.31Å; D315-N382 WeakPolarHBondContact OD2-CB 3.49Å; D315-N382 PolarHBondContact OD2-ND2 2.93Å
316	L	97.5	Very high	92	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.4	-170.8	176.7	63.8	0	0	0	111.7	L312 I318 Y355 I356 C378	L312-L316 HydrophobicContact CD1-CB 3.88Å; L312-L316 HydrophobicContact CD1-CD2 3.91Å; L312-L316 HydrophobicContact CD2-CD2 4.38Å; L316-I318 HydrophobicContact CD1-CG1 4.35Å; L316-I318 HydrophobicContact CD2-CD1 3.83Å; L316-I318 HydrophobicContact CD2-CG1 3.81Å; L316-I318 HydrophobicContact CG-CD1 4.38Å; L316-I318 HydrophobicContact CG-CG1 3.81Å; L316-Y355 CarbonylContact O-C 3.54Å; L316-Y355 WeakPolarHBondContact O-CA 3.44Å; L316-Y355 WeakPolarHBondContact O-CD2 3.48Å; L316-I356 HydrophobicContact CB-CB 4.47Å; L316-I356 PolarHBondContact N-O 3.02Å; L316-I356 PolarHBondContact O-N 2.97Å; L316-C378 HydrophobicContact CD1-CB 3.67Å
317	F	97.2	Very high	92.4	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.1	162.1	-69.1	-66.4	0	0	0	109.9	L177 L181 F189 L353 L354 Y355 C378 I379 F381	L177-F317 HydrophobicContact CD1-CE2 4.39Å; L177-F317 HydrophobicContact CD1-CZ 4.25Å; L181-F317 HydrophobicContact CD2-CE1 3.96Å; L181-F317 HydrophobicContact CD2-CZ 4.43Å; F189-F317 HydrophobicContact CE1-CZ 4.3Å; F189-F317 HydrophobicContact CE2-CE1 4.08Å; F189-F317 HydrophobicContact CE2-CZ 4.22Å; F189-F317 AromaticContact CZ-CE1 4Å; F189-F317 HydrophobicContact CZ-CE1 4Å; F189-F317 AromaticContact CZ-CZ 3.67Å; F189-F317 HydrophobicContact CZ-CZ 3.67Å; F317-L353 HydrophobicContact CB-CD1 3.93Å; F317-L353 HydrophobicContact CD1-CD1 3.89Å; F317-L353 HydrophobicContact CD1-CD2 4.13Å; F317-L353 HydrophobicContact CD1-CG 4.41Å; F317-L353 HydrophobicContact CE1-CD2 4.41Å; F317-L353 HydrophobicContact CG-CD1 4.3Å; F317-L354 CarbonylContact C-O 3.53Å; F317-Y355 AromaticContact CD1-CD2 3.64Å; F317-Y355 HydrophobicContact CD1-CD2 3.64Å; F317-Y355 HydrophobicContact CD1-CG 4.12Å; F317-Y355 AromaticContact CE1-CD2 3.4Å; F317-Y355 HydrophobicContact CE1-CD2 3.4Å; F317-Y355 VanDerWaalsContact CE1-CD2 3.4Å; F317-Y355 HydrophobicContact CE1-CE2 4.3Å; F317-Y355 AromaticContact CE1-CG 3.84Å; F317-Y355 HydrophobicContact CE1-CG 3.84Å; F317-Y355 HydrophobicContact CG-CD2 4.32Å; F317-Y355 AromaticContact CZ-CD2 3.9Å; F317-Y355 HydrophobicContact CZ-CD2 3.9Å; F317-Y355 HydrophobicContact CZ-CE2 4.38Å; F317-C378 CarbonylContact O-C 3.6Å; F317-C378 WeakPolarHBondContact O-CA 3.46Å; F317-I379 HydrophobicContact CB-CB 4.21Å; F317-I379 PolarHBondContact N-O 2.92Å; F317-I379 PolarHBondContact O-N 3.19Å; F317-F381 HydrophobicContact CD2-CD1 4.13Å; F317-F381 AromaticContact CD2-CE1 3.42Å; F317-F381 HydrophobicContact CD2-CE1 3.42Å; F317-F381 VanDerWaalsContact CD2-CE1 3.42Å; F317-F381 HydrophobicContact CD2-CZ 4.05Å; F317-F381 HydrophobicContact CE2-CD1 4.24Å; F317-F381 AromaticContact CE2-CE1 3.31Å; F317-F381 HydrophobicContact CE2-CE1 3.31Å; F317-F381 HydrophobicContact CE2-CE2 4.43Å; F317-F381 AromaticContact CE2-CZ 3.42Å; F317-F381 HydrophobicContact CE2-CZ 3.42Å; F317-F381 VanDerWaalsContact CE2-CZ 3.42Å; F317-F381 HydrophobicContact CG-CE1 4.35Å; F317-F381 HydrophobicContact CZ-CE1 4.17Å; F317-F381 AromaticContact CZ-CZ 4Å; F317-F381 HydrophobicContact CZ-CZ 4Å
318	I	96.3	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.3	175.7	-52.7	-176.5	0	0	0	108.2	L316 F327 L348 L353 L354 I356 H376 L377	L316-I318 HydrophobicContact CD1-CG1 4.35Å; L316-I318 HydrophobicContact CD2-CD1 3.83Å; L316-I318 HydrophobicContact CD2-CG1 3.81Å; L316-I318 HydrophobicContact CG-CD1 4.38Å; L316-I318 HydrophobicContact CG-CG1 3.81Å; I318-F327 HydrophobicContact CD1-CD1 3.97Å; I318-F327 HydrophobicContact CD1-CE1 3.55Å; I318-F327 HydrophobicContact CD1-CZ 4.39Å; I318-F327 HydrophobicContact CG2-CE1 4.05Å; I318-F327 HydrophobicContact CG2-CZ 3.83Å; I318-L348 HydrophobicContact CG2-CD1 4.11Å; I318-L353 CarbonylContact O-C 3.6Å; I318-L353 WeakPolarHBondContact O-CA 3.38Å; I318-L354 HydrophobicContact CB-CB 4.24Å; I318-L354 HydrophobicContact CD1-CD2 4.35Å; I318-L354 PolarHBondContact N-O 3.5Å; I318-L354 PolarHBondContact O-N 2.96Å; I318-I356 HydrophobicContact CD1-CD1 3.86Å; I318-H376 HydrophobicContact CG2-CB 4.29Å; I318-L377 CarbonylContact C-O 3.53Å; I318-L377 WeakPolarHBondContact CA-O 3.37Å
319	L	94.5	Very high	92.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	111.3	178.4	-71.2	156.1	0	0	0	108.8	W211 Q321 L353 H376 L377 I379	W211-L319 HydrophobicContact CD2-CD1 4.3Å; W211-L319 HydrophobicContact CG-CD1 4.37Å; L319-Q321 PolarHBondContact O-N 3.3Å; L319-Q321 PolarHBondContact O-NE2 3.38Å; L319-L353 HydrophobicContact CD2-CB 4.29Å; L319-L353 HydrophobicContact CD2-CD1 3.64Å; L319-L353 HydrophobicContact CG-CD1 3.84Å; L319-H376 WeakPolarHBondContact O-CA 3.26Å; L319-L377 HydrophobicContact CD1-CD2 4Å; L319-L377 PolarHBondContact N-O 3.25Å; L319-L377 PolarHBondContact O-N 3.25Å; L319-I379 HydrophobicContact CD1-CD1 3.64Å; L319-I379 HydrophobicContact CD1-CG1 4.28Å
320	Q	93.7	Very high	93.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	118.8	176.4	-170.2	71.3	39.7	0	0	109.5	E322 G323 Q325 L348 K349 P350 G351 D352 L375	Q320-E322 PolarHBondContact NE2-O 3.11Å; Q320-G323 PolarHBondContact NE2-O 3.18Å; Q320-Q325 VanDerWaalsContact NE2-OE1 3.15Å; Q320-L348 HydrophobicContact CB-CB 3.9Å; Q320-L348 HydrophobicContact CB-CD1 4.48Å; Q320-L348 HydrophobicContact CG-CB 4.16Å; Q320-K349 WeakPolarHBondContact CB-O 3.34Å; Q320-P350 WeakPolarHBondContact O-CA 3.45Å; Q320-G351 PolarHBondContact O-N 3.28Å; Q320-D352 PolarHBondContact N-O 2.86Å; Q320-D352 VanDerWaalsContact N-O 3.09Å; Q320-L375 PolarHBondContact NE2-O 3.13Å
321	Q	92.8	Very high	92.9	Very high	19 Å²	19	25.3 Å²	25.3	9%	0.089	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-50.5	-177.4	-57.5	-63.1	-72.4	0	0	111.2	G209 L212 L319 P350 L375 L377	G209-Q321 VanDerWaalsContact O-CD 3.25Å; G209-Q321 PolarHBondContact O-NE2 3.36Å; G209-Q321 PolarHBondContact O-OE1 3.34Å; L212-Q321 HydrophobicContact CB-CG 4.3Å; L212-Q321 PolarHBondContact O-OE1 3.48Å; L319-Q321 PolarHBondContact O-N 3.3Å; L319-Q321 PolarHBondContact O-NE2 3.38Å; Q321-P350 WeakPolarHBondContact O-CB 3.26Å; Q321-L375 WeakPolarHBondContact CA-O 3.49Å; Q321-L375 HydrophobicContact CB-CB 4.31Å; Q321-L375 HydrophobicContact CB-CD2 4.04Å; Q321-L375 HydrophobicContact CB-CG 4.05Å; Q321-L375 WeakPolarHBondContact CB-O 3.38Å; Q321-L375 HydrophobicContact CG-CG 4.46Å; Q321-L375 PolarHBondContact N-O 3.46Å; Q321-L377 HydrophobicContact CG-CB 4.28Å
322	E	91.4	Very high	91.9	Very high	47 Å²	47	24.3 Å²	24.3	22%	0.22	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.5	-177	-56.9	-177.9	-158	0	0	111.4	N213 Y214 Q320 H373 T374 L375	N213-E322 WeakPolarHBondContact CA-OE1 3.26Å; N213-E322 VanDerWaalsContact CB-OE1 3.27Å; N213-E322 WeakPolarHBondContact CB-OE1 3.31Å; Y214-E322 WeakPolarHBondContact CB-OE2 3.45Å; Y214-E322 PolarHBondContact N-OE1 3.4Å; Q320-E322 PolarHBondContact NE2-O 3.11Å; E322-H373 IonicContact OE2-CD2 3.9Å; E322-H373 IonicContact OE2-CE1 2.81Å; E322-H373 PolarHBondContact OE2-CE1 2.93Å; E322-H373 IonicContact OE2-NE2 3.92Å; E322-H373 PolarHBondContact OE2-NE2 2.66Å; E322-T374 WeakPolarHBondContact O-CA 3.19Å; E322-L375 HydrophobicContact CB-CB 3.95Å; E322-L375 HydrophobicContact CG-CB 4.35Å; E322-L375 HydrophobicContact CG-CD2 4.44Å; E322-L375 PolarHBondContact N-O 2.78Å; E322-L375 PolarHBondContact O-N 3.46Å
323	G	89.9	Confident	90.4	Very high	12 Å²	12	29.7 Å²	29.7	12%	0.124	15%	0.151	C	C	.	.	S	Bend	trans	62.9	-169.3	-175.2	0	0	0	0	0	113.7	Q320 P350	Q320-G323 PolarHBondContact NE2-O 3.18Å; G323-P350 WeakPolarHBondContact O-CD 3.37Å; G323-P350 WeakPolarHBondContact O-CG 3.26Å
324	S	89.8	Confident	88.2	Confident	20 Å²	20	30.6 Å²	30.6	14%	0.14	16%	0.159	C	C	.	.			trans	-134.6	139.5	-176.2	-176.6	0	0	0	0	111.4	K347 L348	S324-K347 WeakPolarHBondContact OG-CE 3.35Å; S324-L348 VanDerWaalsContact CA-O 3.23Å; S324-L348 WeakPolarHBondContact CA-O 3.37Å; S324-L348 VanDerWaalsContact CB-O 3.32Å; S324-L348 WeakPolarHBondContact CB-O 3.48Å; S324-L348 PolarHBondContact OG-O 3.36Å
325	Q	91.7	Very high	85.8	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.4	-177.3	-63.6	176.8	-79.8	0	0	110.3	Q320 F327 K347 L348 I364 H366 T374 H376	Q320-Q325 VanDerWaalsContact NE2-OE1 3.15Å; Q325-F327 HydrophobicContact CB-CD2 4.41Å; Q325-F327 HydrophobicContact CB-CE2 3.77Å; Q325-F327 HydrophobicContact CB-CZ 4.49Å; Q325-K347 WeakPolarHBondContact O-CA 3.32Å; Q325-L348 PolarHBondContact N-O 2.82Å; Q325-L348 PolarHBondContact O-N 3.22Å; Q325-I364 HydrophobicContact CB-CG2 4.18Å; Q325-H366 HydrophobicContact CG-CB 4.22Å; Q325-T374 VanDerWaalsContact CD-OG1 3.29Å; Q325-T374 HydrophobicContact CG-CG2 3.71Å; Q325-T374 PolarHBondContact NE2-OG1 2.81Å; Q325-T374 VanDerWaalsContact NE2-OG1 3.16Å; Q325-H376 PolarHBondContact OE1-ND1 2.9Å
326	K	93.2	Very high	83	Confident	84 Å²	84	43.8 Å²	43.8	37%	0.365	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.6	173.3	-66.2	173.4	-175.4	167.3	0	108.4	V346 K347 I364 S365	K326-V346 CarbonylContact C-O 3.51Å; K326-V346 WeakPolarHBondContact CA-O 3.44Å; K326-K347 HydrophobicContact CG-CB 4.43Å; K326-K347 HydrophobicContact CG-CG 4.34Å; K326-I364 CarbonylContact O-C 3.52Å; K326-I364 WeakPolarHBondContact O-CA 3.45Å; K326-S365 WeakPolarHBondContact CB-OG 3.4Å; K326-S365 PolarHBondContact N-O 3.33Å; K326-S365 PolarHBondContact O-N 3.17Å
327	F	94.4	Very high	79.8	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.6	177.7	-72.8	-99.4	0	0	0	108.5	I318 Q325 L345 V346 L348 L354 T363 I364	I318-F327 HydrophobicContact CD1-CD1 3.97Å; I318-F327 HydrophobicContact CD1-CE1 3.55Å; I318-F327 HydrophobicContact CD1-CZ 4.39Å; I318-F327 HydrophobicContact CG2-CE1 4.05Å; I318-F327 HydrophobicContact CG2-CZ 3.83Å; Q325-F327 HydrophobicContact CB-CD2 4.41Å; Q325-F327 HydrophobicContact CB-CE2 3.77Å; Q325-F327 HydrophobicContact CB-CZ 4.49Å; F327-L345 CarbonylContact O-C 3.58Å; F327-L345 WeakPolarHBondContact O-CA 3.39Å; F327-V346 PolarHBondContact N-O 2.71Å; F327-V346 PolarHBondContact O-N 2.9Å; F327-L348 HydrophobicContact CD2-CB 4.38Å; F327-L348 HydrophobicContact CD2-CD1 3.62Å; F327-L348 HydrophobicContact CD2-CG 3.67Å; F327-L348 HydrophobicContact CE2-CB 4.23Å; F327-L348 HydrophobicContact CE2-CD1 3.39Å; F327-L348 HydrophobicContact CE2-CG 3.81Å; F327-L348 HydrophobicContact CG-CD1 4.4Å; F327-L348 HydrophobicContact CZ-CD1 4.02Å; F327-L354 HydrophobicContact CB-CD2 3.8Å; F327-L354 HydrophobicContact CD1-CD2 4.01Å; F327-L354 HydrophobicContact CG-CD2 3.88Å; F327-T363 CarbonylContact C-O 3.54Å; F327-T363 WeakPolarHBondContact CA-O 3.45Å; F327-I364 HydrophobicContact CD1-CD1 4.32Å; F327-I364 HydrophobicContact CD1-CG1 3.8Å; F327-I364 HydrophobicContact CE1-CB 4.3Å; F327-I364 HydrophobicContact CE1-CD1 3.51Å; F327-I364 HydrophobicContact CE1-CG1 3.48Å; F327-I364 VanDerWaalsContact CE1-CG1 3.48Å; F327-I364 HydrophobicContact CE1-CG2 4.05Å; F327-I364 HydrophobicContact CE2-CG2 4.33Å; F327-I364 HydrophobicContact CZ-CD1 4.08Å; F327-I364 HydrophobicContact CZ-CG1 4.21Å; F327-I364 HydrophobicContact CZ-CG2 3.94Å
328	Q	94.1	Very high	76.7	Confident	77 Å²	77	57.9 Å²	57.9	36%	0.36	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.6	174.4	-176.7	-179.5	-13	0	0	108.2	V343 S344 L345 H362 T363	Q328-V343 HydrophobicContact CG-CG1 3.24Å; Q328-S344 WeakPolarHBondContact CA-O 3.37Å; Q328-L345 HydrophobicContact CB-CD1 4.07Å; Q328-H362 CarbonylContact O-C 3.59Å; Q328-H362 WeakPolarHBondContact O-CA 3.36Å; Q328-T363 PolarHBondContact N-O 2.89Å; Q328-T363 PolarHBondContact O-N 2.56Å
329	I	93.5	Very high	73.7	Confident	3 Å²	3	60 Å²	60	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.9	-175.9	-49.8	166.2	0	0	0	108.4	P198 V343 S344 L354 I356 F360	P198-I329 HydrophobicContact CB-CD1 3.94Å; P198-I329 HydrophobicContact CB-CG2 4.45Å; P198-I329 HydrophobicContact CG-CD1 4.46Å; P198-I329 HydrophobicContact CG-CG2 3.86Å; I329-V343 CarbonylContact O-C 3.54Å; I329-V343 VanDerWaalsContact O-CA 3.29Å; I329-V343 WeakPolarHBondContact O-CA 3.49Å; I329-S344 PolarHBondContact N-O 2.96Å; I329-S344 PolarHBondContact O-N 2.95Å; I329-L354 HydrophobicContact CD1-CD1 3.61Å; I329-L354 HydrophobicContact CD1-CD2 3.85Å; I329-L354 HydrophobicContact CD1-CG 4.22Å; I329-L354 HydrophobicContact CG1-CD2 4.39Å; I329-I356 HydrophobicContact CD1-CD1 4.39Å; I329-I356 HydrophobicContact CD1-CG1 4.37Å; I329-I356 HydrophobicContact CG1-CD1 4.25Å; I329-I356 HydrophobicContact CG2-CG2 4.31Å; I329-F360 HydrophobicContact CG2-CB 4.25Å; I329-F360 HydrophobicContact CG2-CD1 3.86Å; I329-F360 HydrophobicContact CG2-CG 4.46Å
330	S	90.9	Very high	71.1	Confident	25 Å²	25	67 Å²	67	18%	0.175	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.3	179	63.2	0	0	0	0	111.4	F360 A361	S330-F360 WeakPolarHBondContact O-CA 3.43Å; S330-A361 PolarHBondContact N-O 3.44Å; S330-A361 PolarHBondContact O-N 2.86Å
331	S	84	Confident	69.1	Low	23 Å²	23	73.7 Å²	73.7	16%	0.161	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.7	174.1	-165.2	0	0	0	0	109.6	K333	S331-K333 VanDerWaalsContact C-N 3.3Å; S331-K333 PolarHBondContact OG-N 3.38Å
332	N	68.1	Low	67.4	Low	75 Å²	75	79.5 Å²	79.5	40%	0.401	43%	0.434	S	S	.	.			trans	-94.8	22.8	167.9	-53.6	-30.2	0	0	0	111.5	Q311 T334	Q311-N332 PolarHBondContact NE2-ND2 2.85Å; N332-T334 PolarHBondContact O-N 3.13Å; N332-T334 PolarHBondContact O-OG1 3.19Å
333	K	62	Low	66.1	Low	130 Å²	130	80.4 Å²	80.4	57%	0.565	44%	0.443	S	S	*	.			trans	-69.3	74.7	170.7	-72	-177	-179	176.7	0	109	S331 N335	S331-K333 VanDerWaalsContact C-N 3.3Å; S331-K333 PolarHBondContact OG-N 3.38Å; K333-N335 VanDerWaalsContact C-N 3.31Å
334	T	45.8	Very low	65.7	Low	91 Å²	91	82.8 Å²	82.8	56%	0.558	46%	0.458	S	S	*	.			trans	-90.3	15.7	179.9	48.4	0	0	0	0	112.8	N332 L336	N332-T334 PolarHBondContact O-N 3.13Å; N332-T334 PolarHBondContact O-OG1 3.19Å; T334-L336 CarbonylContact O-C 3.57Å; T334-L336 PolarHBondContact O-N 3.3Å; T334-L336 VanDerWaalsContact O-N 3.09Å
335	N	43.9	Very low	65.8	Low	164 Å²	164	87.4 Å²	87.4	88%	0.877	48%	0.48	S	S	*	.			trans	-71.3	4.8	171.7	-74.8	-8.5	0	0	0	113.7	K333	K333-N335 VanDerWaalsContact C-N 3.31Å
336	L	37.9	Very low	65.8	Low	140 Å²	140	87.9 Å²	87.9	73%	0.733	48%	0.484	S	S	*	.	S	Bend	trans	-99.8	103.4	158.2	-68.2	165.2	0	0	0	106.9	T334 G338 G339	T334-L336 CarbonylContact O-C 3.57Å; T334-L336 PolarHBondContact O-N 3.3Å; T334-L336 VanDerWaalsContact O-N 3.09Å; L336-G338 PolarHBondContact O-N 3.34Å; L336-G339 PolarHBondContact O-N 2.97Å; L336-G339 VanDerWaalsContact O-N 3.14Å
337	K	30.6	Very low	65.8	Low	220 Å²	220	89.7 Å²	89.7	96%	0.957	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	108.1	172.7	-73.2	-177.5	175.4	-178.8	0	108.6
338	G	32.8	Very low	65.7	Low	82 Å²	82	89.7 Å²	89.7	85%	0.845	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.3	3.1	177.6	0	0	0	0	0	117.6	L336 N340	L336-G338 PolarHBondContact O-N 3.34Å; G338-N340 PolarHBondContact O-N 2.88Å
339	G	32.7	Very low	65.5	Low	45 Å²	45	92 Å²	92	46%	0.464	50%	0.5	S	S	.	.			trans	-78.5	111.9	-172.7	0	0	0	0	0	115.7	L336	L336-G339 PolarHBondContact O-N 2.97Å; L336-G339 VanDerWaalsContact O-N 3.14Å
340	N	39.9	Very low	65.4	Low	147 Å²	147	94.7 Å²	94.7	79%	0.786	52%	0.518	S	S	*	.			trans	-45.8	138.2	159.5	-93.7	-27.1	0	0	0	110.7	G338 N342	G338-N340 PolarHBondContact O-N 2.88Å; N340-N342 PolarHBondContact O-N 3.48Å
341	K	52.3	Low	65.4	Low	142 Å²	142	93.7 Å²	93.7	62%	0.617	51%	0.511	S	S	*	.			trans	-57.6	101.7	169.2	-76.4	178.4	178.8	174.2	0	107.8	V343	K341-V343 VanDerWaalsContact C-N 3.26Å; K341-V343 HydrophobicContact CB-CG2 4.04Å; K341-V343 WeakPolarHBondContact O-CG2 3.41Å; K341-V343 PolarHBondContact O-N 3.43Å
342	N	56.1	Low	65.8	Low	140 Å²	140	92.9 Å²	92.9	75%	0.749	51%	0.505	S	S	*	.			trans	-67.5	93	172.5	-75.8	-15.4	0	0	0	107.7	N340	N340-N342 PolarHBondContact O-N 3.48Å
343	V	65.5	Low	67	Low	67 Å²	67	89.3 Å²	89.3	41%	0.406	49%	0.486	S	S	.	.			trans	-89.4	110	179.1	175.4	0	0	0	0	107.7	Q328 I329 K341	Q328-V343 HydrophobicContact CG-CG1 3.24Å; I329-V343 CarbonylContact O-C 3.54Å; I329-V343 VanDerWaalsContact O-CA 3.29Å; I329-V343 WeakPolarHBondContact O-CA 3.49Å; K341-V343 VanDerWaalsContact C-N 3.26Å; K341-V343 HydrophobicContact CB-CG2 4.04Å; K341-V343 WeakPolarHBondContact O-CG2 3.41Å; K341-V343 PolarHBondContact O-N 3.43Å
344	S	81.8	Confident	68.6	Low	62 Å²	62	83.2 Å²	83.2	43%	0.434	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.3	172.2	-171.5	0	0	0	0	108.9	Q328 I329	Q328-S344 WeakPolarHBondContact CA-O 3.37Å; I329-S344 PolarHBondContact N-O 2.96Å; I329-S344 PolarHBondContact O-N 2.95Å
345	L	89.8	Confident	71.1	Confident	117 Å²	117	78.9 Å²	78.9	61%	0.613	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.1	173.6	-171.3	72.9	0	0	0	109.4	F327 Q328	F327-L345 CarbonylContact O-C 3.58Å; F327-L345 WeakPolarHBondContact O-CA 3.39Å; Q328-L345 HydrophobicContact CB-CD1 4.07Å
346	V	93	Very high	73.6	Confident	12 Å²	12	71 Å²	71	7%	0.073	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.4	-176.3	177.9	0	0	0	0	109	H200 K326 F327 L348	H200-V346 HydrophobicContact CB-CG1 4.02Å; H200-V346 HydrophobicContact CB-CG2 4.37Å; H200-V346 VanDerWaalsContact CE1-CG1 3.41Å; H200-V346 WeakPolarHBondContact CE1-CG1 3.48Å; H200-V346 VanDerWaalsContact CG-CG1 3.44Å; H200-V346 VanDerWaalsContact ND1-CG1 3.26Å; H200-V346 WeakPolarHBondContact ND1-CG1 3.44Å; K326-V346 CarbonylContact C-O 3.51Å; K326-V346 WeakPolarHBondContact CA-O 3.44Å; F327-V346 PolarHBondContact N-O 2.71Å; F327-V346 PolarHBondContact O-N 2.9Å; V346-L348 HydrophobicContact CG1-CD2 3.65Å; V346-L348 HydrophobicContact CG1-CG 4.44Å
347	K	92.7	Very high	76.3	Confident	121 Å²	121	64.4 Å²	64.4	53%	0.526	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.2	170.6	-176.4	176.8	179.9	174.8	0	108.9	S324 Q325 K326	S324-K347 WeakPolarHBondContact OG-CE 3.35Å; Q325-K347 WeakPolarHBondContact O-CA 3.32Å; K326-K347 HydrophobicContact CG-CB 4.43Å; K326-K347 HydrophobicContact CG-CG 4.34Å
348	L	92.4	Very high	79.3	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.7	176.9	-56.4	-173.6	0	0	0	110.6	H200 I318 Q320 S324 Q325 F327 V346 D352 L354	H200-L348 VanDerWaalsContact CD2-CD2 3.46Å; H200-L348 WeakPolarHBondContact CD2-CD2 3.37Å; H200-L348 WeakPolarHBondContact NE2-CD2 3.42Å; I318-L348 HydrophobicContact CG2-CD1 4.11Å; Q320-L348 HydrophobicContact CB-CB 3.9Å; Q320-L348 HydrophobicContact CB-CD1 4.48Å; Q320-L348 HydrophobicContact CG-CB 4.16Å; S324-L348 VanDerWaalsContact CA-O 3.23Å; S324-L348 WeakPolarHBondContact CA-O 3.37Å; S324-L348 VanDerWaalsContact CB-O 3.32Å; S324-L348 WeakPolarHBondContact CB-O 3.48Å; S324-L348 PolarHBondContact OG-O 3.36Å; Q325-L348 PolarHBondContact N-O 2.82Å; Q325-L348 PolarHBondContact O-N 3.22Å; F327-L348 HydrophobicContact CD2-CB 4.38Å; F327-L348 HydrophobicContact CD2-CD1 3.62Å; F327-L348 HydrophobicContact CD2-CG 3.67Å; F327-L348 HydrophobicContact CE2-CB 4.23Å; F327-L348 HydrophobicContact CE2-CD1 3.39Å; F327-L348 HydrophobicContact CE2-CG 3.81Å; F327-L348 HydrophobicContact CG-CD1 4.4Å; F327-L348 HydrophobicContact CZ-CD1 4.02Å; V346-L348 HydrophobicContact CG1-CD2 3.65Å; V346-L348 HydrophobicContact CG1-CG 4.44Å; L348-D352 HydrophobicContact CB-CB 4.29Å; L348-D352 HydrophobicContact CD2-CB 3.97Å; L348-L354 HydrophobicContact CD1-CB 3.83Å; L348-L354 HydrophobicContact CD1-CD2 4.42Å; L348-L354 HydrophobicContact CD2-CB 4.07Å
349	K	90.9	Very high	82.1	Confident	127 Å²	127	55 Å²	55	55%	0.552	30%	0.298	S	S	*	.			trans	-113.6	162.7	169.3	-63.5	-179.9	-177.3	178.5	0	109.3	Q320 G351 D352	Q320-K349 WeakPolarHBondContact CB-O 3.34Å; K349-G351 PolarHBondContact O-N 2.82Å; K349-D352 PolarHBondContact N-OD2 2.91Å; K349-D352 VanDerWaalsContact O-CB 3.29Å; K349-D352 WeakPolarHBondContact O-CB 3.28Å; K349-D352 PolarHBondContact O-N 3Å
350	P	90.6	Very high	85	Confident	58 Å²	58	53.9 Å²	53.9	38%	0.377	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	127.3	178	-30	39.9	0	0	0	112.2	Q320 Q321 G323	Q320-P350 WeakPolarHBondContact O-CA 3.45Å; Q321-P350 WeakPolarHBondContact O-CB 3.26Å; G323-P350 WeakPolarHBondContact O-CD 3.37Å; G323-P350 WeakPolarHBondContact O-CG 3.26Å
351	G	90	Very high	87.5	Confident	4 Å²	4	47.6 Å²	47.6	4%	0.041	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-21.1	-175.4	0	0	0	0	0	114.8	R203 Q320 K349	R203-G351 VanDerWaalsContact CD-O 3.24Å; R203-G351 WeakPolarHBondContact CD-O 3.46Å; Q320-G351 PolarHBondContact O-N 3.28Å; K349-G351 PolarHBondContact O-N 2.82Å
352	D	92.9	Very high	89.4	Confident	7 Å²	7	41 Å²	41	4%	0.037	22%	0.22	C	C	.	.			trans	-68.4	147.5	178.3	-65.5	-21	0	0	0	111.6	H200 V201 K202 R203 Q320 L348 K349	H200-D352 IonicContact NE2-OD2 2.66Å; V201-D352 WeakPolarHBondContact O-CA 3.43Å; K202-D352 VanDerWaalsContact CA-OD1 3.3Å; K202-D352 WeakPolarHBondContact CA-OD1 3.2Å; R203-D352 PolarHBondContact N-OD1 3.46Å; Q320-D352 PolarHBondContact N-O 2.86Å; Q320-D352 VanDerWaalsContact N-O 3.09Å; L348-D352 HydrophobicContact CB-CB 4.29Å; L348-D352 HydrophobicContact CD2-CB 3.97Å; K349-D352 PolarHBondContact N-OD2 2.91Å; K349-D352 VanDerWaalsContact O-CB 3.29Å; K349-D352 WeakPolarHBondContact O-CB 3.28Å; K349-D352 PolarHBondContact O-N 3Å
353	L	94.1	Very high	91.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.4	173.9	172	77.8	0	0	0	110.1	I180 L181 H200 V201 F317 I318 L319	I180-L353 HydrophobicContact CG2-CD1 4.19Å; I180-L353 HydrophobicContact CG2-CD2 3.99Å; I180-L353 WeakPolarHBondContact O-CD2 3.34Å; L181-L353 HydrophobicContact CD2-CD2 3.96Å; H200-L353 WeakPolarHBondContact CA-O 3.42Å; H200-L353 PolarHBondContact CD2-O 2.84Å; V201-L353 HydrophobicContact CB-CB 4.17Å; V201-L353 HydrophobicContact CG2-CD2 4.18Å; V201-L353 PolarHBondContact N-O 3.31Å; V201-L353 PolarHBondContact O-N 2.9Å; F317-L353 HydrophobicContact CB-CD1 3.93Å; F317-L353 HydrophobicContact CD1-CD1 3.89Å; F317-L353 HydrophobicContact CD1-CD2 4.13Å; F317-L353 HydrophobicContact CD1-CG 4.41Å; F317-L353 HydrophobicContact CE1-CD2 4.41Å; F317-L353 HydrophobicContact CG-CD1 4.3Å; I318-L353 CarbonylContact O-C 3.6Å; I318-L353 WeakPolarHBondContact O-CA 3.38Å; L319-L353 HydrophobicContact CD2-CB 4.29Å; L319-L353 HydrophobicContact CD2-CD1 3.64Å; L319-L353 HydrophobicContact CG-CD1 3.84Å
354	L	95.9	Very high	92.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.7	165.6	174.9	63.7	0	0	0	110.6	L199 H200 F317 I318 F327 I329 L348 I356	L199-L354 CarbonylContact O-C 3.48Å; L199-L354 WeakPolarHBondContact O-CA 3.29Å; H200-L354 HydrophobicContact CB-CD1 4.2Å; F317-L354 CarbonylContact C-O 3.53Å; I318-L354 HydrophobicContact CB-CB 4.24Å; I318-L354 HydrophobicContact CD1-CD2 4.35Å; I318-L354 PolarHBondContact N-O 3.5Å; I318-L354 PolarHBondContact O-N 2.96Å; F327-L354 HydrophobicContact CB-CD2 3.8Å; F327-L354 HydrophobicContact CD1-CD2 4.01Å; F327-L354 HydrophobicContact CG-CD2 3.88Å; I329-L354 HydrophobicContact CD1-CD1 3.61Å; I329-L354 HydrophobicContact CD1-CD2 3.85Å; I329-L354 HydrophobicContact CD1-CG 4.22Å; I329-L354 HydrophobicContact CG1-CD2 4.39Å; L348-L354 HydrophobicContact CD1-CB 3.83Å; L348-L354 HydrophobicContact CD1-CD2 4.42Å; L348-L354 HydrophobicContact CD2-CB 4.07Å; L354-I356 HydrophobicContact CD1-CG1 4.43Å; L354-I356 HydrophobicContact CD2-CD1 3.95Å; L354-I356 HydrophobicContact CD2-CG1 4.14Å; L354-I356 HydrophobicContact CG-CD1 4.25Å; L354-I356 HydrophobicContact CG-CG1 3.89Å
355	Y	97.4	Very high	92.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.1	168.4	170	-106.5	0	0	0	110.4	F189 N193 Q195 P198 L199 D315 L316 F317 P357 F381	F189-Y355 AromaticContact CE2-CD1 3.72Å; F189-Y355 HydrophobicContact CE2-CD1 3.72Å; F189-Y355 HydrophobicContact CE2-CD2 4.15Å; F189-Y355 AromaticContact CE2-CE1 3.91Å; F189-Y355 HydrophobicContact CE2-CE1 3.91Å; F189-Y355 HydrophobicContact CE2-CE2 4.34Å; F189-Y355 AromaticContact CE2-CG 3.83Å; F189-Y355 HydrophobicContact CE2-CG 3.83Å; F189-Y355 HydrophobicContact CZ-CD1 4.37Å; F189-Y355 HydrophobicContact CZ-CD2 4.2Å; F189-Y355 HydrophobicContact CZ-CE1 4.23Å; F189-Y355 HydrophobicContact CZ-CE2 4.07Å; F189-Y355 HydrophobicContact CZ-CG 4.34Å; N193-Y355 HydrophobicContact CB-CD1 4.33Å; N193-Y355 HydrophobicContact CB-CE1 4.4Å; N193-Y355 WeakPolarHBondContact O-CE1 3.25Å; Q195-Y355 PolarHBondContact N-OH 3.38Å; P198-Y355 CarbonylContact C-O 3.59Å; P198-Y355 VanDerWaalsContact CA-O 3.22Å; P198-Y355 WeakPolarHBondContact CA-O 3.45Å; L199-Y355 HydrophobicContact CB-CD1 4.33Å; L199-Y355 PolarHBondContact N-O 3.39Å; L199-Y355 PolarHBondContact O-N 3.02Å; D315-Y355 HydrophobicContact CB-CE2 4.11Å; D315-Y355 PolarHBondContact OD1-OH 3.48Å; L316-Y355 CarbonylContact O-C 3.54Å; L316-Y355 WeakPolarHBondContact O-CA 3.44Å; L316-Y355 WeakPolarHBondContact O-CD2 3.48Å; F317-Y355 AromaticContact CD1-CD2 3.64Å; F317-Y355 HydrophobicContact CD1-CD2 3.64Å; F317-Y355 HydrophobicContact CD1-CG 4.12Å; F317-Y355 AromaticContact CE1-CD2 3.4Å; F317-Y355 HydrophobicContact CE1-CD2 3.4Å; F317-Y355 VanDerWaalsContact CE1-CD2 3.4Å; F317-Y355 HydrophobicContact CE1-CE2 4.3Å; F317-Y355 AromaticContact CE1-CG 3.84Å; F317-Y355 HydrophobicContact CE1-CG 3.84Å; F317-Y355 HydrophobicContact CG-CD2 4.32Å; F317-Y355 AromaticContact CZ-CD2 3.9Å; F317-Y355 HydrophobicContact CZ-CD2 3.9Å; F317-Y355 HydrophobicContact CZ-CE2 4.38Å; Y355-P357 HydrophobicContact CE1-CB 4Å; Y355-P357 HydrophobicContact CE1-CG 4.21Å; Y355-F381 HydrophobicContact CE2-CE1 4.28Å; Y355-F381 HydrophobicContact CE2-CZ 4.03Å
356	I	96.5	Very high	92.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	115.7	176.2	-50.1	-177	0	0	0	108.1	L312 L316 I318 I329 L354 F360 H362	L312-I356 HydrophobicContact CD1-CB 4.02Å; L312-I356 HydrophobicContact CD1-CG2 3.68Å; L316-I356 HydrophobicContact CB-CB 4.47Å; L316-I356 PolarHBondContact N-O 3.02Å; L316-I356 PolarHBondContact O-N 2.97Å; I318-I356 HydrophobicContact CD1-CD1 3.86Å; I329-I356 HydrophobicContact CD1-CD1 4.39Å; I329-I356 HydrophobicContact CD1-CG1 4.37Å; I329-I356 HydrophobicContact CG1-CD1 4.25Å; I329-I356 HydrophobicContact CG2-CG2 4.31Å; L354-I356 HydrophobicContact CD1-CG1 4.43Å; L354-I356 HydrophobicContact CD2-CD1 3.95Å; L354-I356 HydrophobicContact CD2-CG1 4.14Å; L354-I356 HydrophobicContact CG-CD1 4.25Å; L354-I356 HydrophobicContact CG-CG1 3.89Å; I356-F360 HydrophobicContact CG2-CB 3.59Å; I356-F360 HydrophobicContact CG2-CG 4.35Å; I356-H362 HydrophobicContact CD1-CB 3.9Å
357	P	95.4	Very high	90.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.16	C	C	.	.			trans	-73.5	161.5	177.6	25.8	-29.5	0	0	0	112.3	D315 Y355 F360	D315-P357 VanDerWaalsContact OD1-CA 3.31Å; D315-P357 WeakPolarHBondContact OD1-CA 3.19Å; Y355-P357 HydrophobicContact CE1-CB 4Å; Y355-P357 HydrophobicContact CE1-CG 4.21Å; P357-F360 HydrophobicContact CB-CD2 4.46Å; P357-F360 HydrophobicContact CB-CE2 4.49Å; P357-F360 HydrophobicContact CG-CD2 3.66Å; P357-F360 HydrophobicContact CG-CE2 3.54Å; P357-F360 HydrophobicContact CG-CZ 4.32Å; P357-F360 WeakPolarHBondContact O-CD2 3.39Å; P357-F360 PolarHBondContact O-N 2.88Å
358	K	93.1	Very high	89.4	Confident	85 Å²	85	26 Å²	26	37%	0.37	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	139.6	172.3	179.9	175.8	179.1	157.9	0	112.4	L312 D313 H314 D315 N386	L312-K358 WeakPolarHBondContact O-CG 3.36Å; D313-K358 VanDerWaalsContact O-CD 3.29Å; D313-K358 WeakPolarHBondContact O-CD 3.24Å; D313-K358 VanDerWaalsContact O-CE 3.26Å; D313-K358 WeakPolarHBondContact O-CE 2.99Å; D313-K358 PolarHBondContact O-NZ 2.93Å; H314-K358 VanDerWaalsContact O-CA 3.23Å; H314-K358 WeakPolarHBondContact O-CA 3.49Å; H314-K358 PolarHBondContact O-N 3.18Å; D315-K358 PolarHBondContact OD1-N 3.03Å; K358-N386 PolarHBondContact NZ-ND2 3.16Å
359	G	91.6	Very high	87.7	Confident	19 Å²	19	31.7 Å²	31.7	20%	0.196	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-0.5	176	0	0	0	0	0	115.4	Q311 L312	Q311-G359 PolarHBondContact NE2-O 2.88Å; L312-G359 PolarHBondContact O-N 3.27Å
360	F	93.1	Very high	86.6	Confident	22 Å²	22	34.4 Å²	34.4	10%	0.096	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145	172.2	-73	-105.9	0	0	0	110.3	P198 Q311 L312 I329 S330 I356 P357	P198-F360 HydrophobicContact CG-CD1 3.83Å; P198-F360 HydrophobicContact CG-CE1 3.66Å; P198-F360 HydrophobicContact CG-CG 4.44Å; P198-F360 HydrophobicContact CG-CZ 4.19Å; Q311-F360 WeakPolarHBondContact CA-O 3.44Å; L312-F360 WeakPolarHBondContact CG-O 2.93Å; L312-F360 PolarHBondContact N-O 2.98Å; I329-F360 HydrophobicContact CG2-CB 4.25Å; I329-F360 HydrophobicContact CG2-CD1 3.86Å; I329-F360 HydrophobicContact CG2-CG 4.46Å; S330-F360 WeakPolarHBondContact O-CA 3.43Å; I356-F360 HydrophobicContact CG2-CB 3.59Å; I356-F360 HydrophobicContact CG2-CG 4.35Å; P357-F360 HydrophobicContact CB-CD2 4.46Å; P357-F360 HydrophobicContact CB-CE2 4.49Å; P357-F360 HydrophobicContact CG-CD2 3.66Å; P357-F360 HydrophobicContact CG-CE2 3.54Å; P357-F360 HydrophobicContact CG-CZ 4.32Å; P357-F360 WeakPolarHBondContact O-CD2 3.39Å; P357-F360 PolarHBondContact O-N 2.88Å
361	A	92.4	Very high	85.6	Confident	14 Å²	14	35 Å²	35	12%	0.116	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	151.1	169.3	0	0	0	0	0	108.7	F309 Q311 S330	F309-A361 WeakPolarHBondContact O-CB 3.46Å; Q311-A361 HydrophobicContact CG-CB 4.45Å; S330-A361 PolarHBondContact N-O 3.44Å; S330-A361 PolarHBondContact O-N 2.86Å
362	H	92.3	Very high	85.2	Confident	5 Å²	5	43.5 Å²	43.5	2%	0.023	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.1	177.7	67.7	-78.8	0	0	0	111.9	F309 Q328 I356	F309-H362 WeakPolarHBondContact CB-O 3.34Å; F309-H362 AromaticContact CD2-CD2 3.67Å; F309-H362 AromaticContact CD2-CE1 3.78Å; F309-H362 AromaticContact CD2-NE2 3.26Å; F309-H362 VanDerWaalsContact CD2-NE2 3.26Å; F309-H362 WeakPolarHBondContact CD2-NE2 3.35Å; F309-H362 AromaticContact CE2-NE2 3.77Å; F309-H362 AromaticContact CG-CE1 3.63Å; F309-H362 AromaticContact CG-NE2 3.6Å; F309-H362 PolarHBondContact N-O 2.59Å; F309-H362 PolarHBondContact O-N 3.44Å; Q328-H362 CarbonylContact O-C 3.59Å; Q328-H362 WeakPolarHBondContact O-CA 3.36Å; I356-H362 HydrophobicContact CD1-CB 3.9Å
363	T	91.7	Very high	85	Confident	22 Å²	22	44.9 Å²	44.9	14%	0.135	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134	174.3	-60.8	0	0	0	0	108.7	E306 L307 S308 F327 Q328	E306-T363 HydrophobicContact CG-CG2 3.57Å; E306-T363 WeakPolarHBondContact OE1-CG2 3.38Å; L307-T363 CarbonylContact O-C 3.55Å; L307-T363 VanDerWaalsContact O-CA 3.29Å; L307-T363 WeakPolarHBondContact O-CA 3.42Å; S308-T363 WeakPolarHBondContact OG-CG2 3.34Å; S308-T363 PolarHBondContact OG-OG1 3.21Å; F327-T363 CarbonylContact C-O 3.54Å; F327-T363 WeakPolarHBondContact CA-O 3.45Å; Q328-T363 PolarHBondContact N-O 2.89Å; Q328-T363 PolarHBondContact O-N 2.56Å
364	I	91	Very high	85	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.6	175.7	-46	-178.1	0	0	0	106.6	E306 L307 F309 Q325 K326 F327	E306-I364 CarbonylContact C-O 3.56Å; E306-I364 WeakPolarHBondContact CA-O 3.38Å; L307-I364 HydrophobicContact CB-CB 4.4Å; L307-I364 PolarHBondContact N-O 3.45Å; L307-I364 PolarHBondContact O-N 2.99Å; F309-I364 HydrophobicContact CD2-CD1 4.46Å; F309-I364 HydrophobicContact CD2-CG1 4.39Å; F309-I364 HydrophobicContact CE2-CD1 3.62Å; F309-I364 HydrophobicContact CE2-CG1 3.9Å; F309-I364 HydrophobicContact CZ-CD1 4.31Å; Q325-I364 HydrophobicContact CB-CG2 4.18Å; K326-I364 CarbonylContact O-C 3.52Å; K326-I364 WeakPolarHBondContact O-CA 3.45Å; F327-I364 HydrophobicContact CD1-CD1 4.32Å; F327-I364 HydrophobicContact CD1-CG1 3.8Å; F327-I364 HydrophobicContact CE1-CB 4.3Å; F327-I364 HydrophobicContact CE1-CD1 3.51Å; F327-I364 HydrophobicContact CE1-CG1 3.48Å; F327-I364 VanDerWaalsContact CE1-CG1 3.48Å; F327-I364 HydrophobicContact CE1-CG2 4.05Å; F327-I364 HydrophobicContact CE2-CG2 4.33Å; F327-I364 HydrophobicContact CZ-CD1 4.08Å; F327-I364 HydrophobicContact CZ-CG1 4.21Å; F327-I364 HydrophobicContact CZ-CG2 3.94Å
365	S	87.9	Confident	84.9	Confident	34 Å²	34	44.9 Å²	44.9	24%	0.238	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	169.4	51.6	0	0	0	0	109.7	K326	K326-S365 WeakPolarHBondContact CB-OG 3.4Å; K326-S365 PolarHBondContact N-O 3.33Å; K326-S365 PolarHBondContact O-N 3.17Å
366	H	80.1	Confident	84.7	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.023	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.6	178.1	166.4	-102.4	0	0	0	108.6	S301 P304 T305 Q325 N368 T374	S301-H366 PolarHBondContact O-CE1 3.11Å; S301-H366 VanDerWaalsContact O-CE1 3.27Å; P304-H366 WeakPolarHBondContact CA-O 3.44Å; T305-H366 PolarHBondContact N-O 2.85Å; T305-H366 PolarHBondContact O-N 2.64Å; Q325-H366 HydrophobicContact CG-CB 4.22Å; H366-N368 VanDerWaalsContact CE1-CB 3.5Å; H366-N368 WeakPolarHBondContact CE1-CB 3.44Å; H366-N368 VanDerWaalsContact NE2-CB 3.29Å; H366-N368 WeakPolarHBondContact NE2-CB 3.41Å; H366-N368 PolarHBondContact NE2-ND2 3.39Å; H366-T374 WeakPolarHBondContact CD2-CG2 3.46Å; H366-T374 VanDerWaalsContact NE2-CG2 3.3Å; H366-T374 WeakPolarHBondContact NE2-CG2 3.26Å
367	D	65.8	Low	84.7	Confident	116 Å²	116	44.9 Å²	44.9	62%	0.62	24%	0.235	S	C	*	.			trans	-138.7	92	-175	-171.2	12.5	0	0	0	106.1
368	N	62.6	Low	84.7	Confident	25 Å²	25	45.2 Å²	45.2	13%	0.134	24%	0.237	C	C	.	.			trans	-115.2	106.6	-179.4	-100.5	-18.6	0	0	0	111.8	H366 K370 N371	H366-N368 VanDerWaalsContact CE1-CB 3.5Å; H366-N368 WeakPolarHBondContact CE1-CB 3.44Å; H366-N368 VanDerWaalsContact NE2-CB 3.29Å; H366-N368 WeakPolarHBondContact NE2-CB 3.41Å; H366-N368 PolarHBondContact NE2-ND2 3.39Å; N368-K370 VanDerWaalsContact C-N 3.35Å; N368-N371 WeakPolarHBondContact CB-O 3.36Å; N368-N371 VanDerWaalsContact CG-N 3.33Å; N368-N371 WeakPolarHBondContact ND2-CA 3.49Å; N368-N371 WeakPolarHBondContact ND2-CB 3.34Å; N368-N371 PolarHBondContact ND2-N 3.14Å; N368-N371 PolarHBondContact ND2-ND2 2.8Å; N368-N371 PolarHBondContact ND2-O 3.15Å; N368-N371 PolarHBondContact OD1-N 3.4Å; N368-N371 PolarHBondContact OD1-ND2 2.66Å
369	S	57.5	Low	84.9	Confident	119 Å²	119	41.1 Å²	41.1	83%	0.832	22%	0.22	S	C	*	.	S	Bend	trans	-83.2	-9.4	145.6	54.4	0	0	0	0	113.1
370	K	66.9	Low	85.1	Confident	184 Å²	184	40.8 Å²	40.8	80%	0.8	21%	0.214	S	C	*	.	S	Bend	trans	-116.5	-34.2	-166.7	-66.9	-169.5	179.5	-173.1	0	117.8	N368	N368-K370 VanDerWaalsContact C-N 3.35Å
371	N	69.3	Low	85.3	Confident	70 Å²	70	39.9 Å²	39.9	37%	0.374	21%	0.21	S	C	.	.			trans	-113	144.3	177.4	-36.8	-79.7	0	0	0	112	N368 H373	N368-N371 WeakPolarHBondContact CB-O 3.36Å; N368-N371 VanDerWaalsContact CG-N 3.33Å; N368-N371 WeakPolarHBondContact ND2-CA 3.49Å; N368-N371 WeakPolarHBondContact ND2-CB 3.34Å; N368-N371 PolarHBondContact ND2-N 3.14Å; N368-N371 PolarHBondContact ND2-ND2 2.8Å; N368-N371 PolarHBondContact ND2-O 3.15Å; N368-N371 PolarHBondContact OD1-N 3.4Å; N368-N371 PolarHBondContact OD1-ND2 2.66Å; N371-H373 PolarHBondContact O-N 2.88Å
372	K	81	Confident	85.3	Confident	183 Å²	183	39.6 Å²	39.6	80%	0.796	21%	0.207	S	C	*	.	S	Bend	trans	-62.4	-30.4	179.6	-67.6	-174.9	177.6	-177.8	0	113.1	S302	S302-K372 WeakPolarHBondContact CB-O 3.47Å; S302-K372 PolarHBondContact N-O 2.62Å
373	H	90.3	Very high	85.3	Confident	37 Å²	37	44 Å²	44	17%	0.171	23%	0.227	C	C	.	.			trans	-157.7	173.8	-178	62.4	-74.1	0	0	0	111.4	Y214 Y260 L299 L300 E322 N371	Y214-H373 AromaticContact CD2-CD2 3.82Å; Y214-H373 AromaticContact CD2-NE2 3.77Å; Y214-H373 AromaticContact CG-NE2 3.89Å; Y260-H373 WeakPolarHBondContact OH-CB 3.38Å; L299-H373 HydrophobicContact CD1-CB 4.22Å; L300-H373 WeakPolarHBondContact O-CA 3.31Å; L300-H373 VanDerWaalsContact O-CB 3.32Å; L300-H373 WeakPolarHBondContact O-CB 3.34Å; E322-H373 IonicContact OE2-CD2 3.9Å; E322-H373 IonicContact OE2-CE1 2.81Å; E322-H373 PolarHBondContact OE2-CE1 2.93Å; E322-H373 IonicContact OE2-NE2 3.92Å; E322-H373 PolarHBondContact OE2-NE2 2.66Å; N371-H373 PolarHBondContact O-N 2.88Å
374	T	92.7	Very high	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.5	165.9	55.8	0	0	0	0	110.8	L299 L300 E322 Q325 H366	L299-T374 CarbonylContact C-O 3.55Å; L299-T374 WeakPolarHBondContact CA-O 3.4Å; L300-T374 PolarHBondContact N-O 3.13Å; L300-T374 PolarHBondContact O-N 3.01Å; E322-T374 WeakPolarHBondContact O-CA 3.19Å; Q325-T374 VanDerWaalsContact CD-OG1 3.29Å; Q325-T374 HydrophobicContact CG-CG2 3.71Å; Q325-T374 PolarHBondContact NE2-OG1 2.81Å; Q325-T374 VanDerWaalsContact NE2-OG1 3.16Å; H366-T374 WeakPolarHBondContact CD2-CG2 3.46Å; H366-T374 VanDerWaalsContact NE2-CG2 3.3Å; H366-T374 WeakPolarHBondContact NE2-CG2 3.26Å
375	L	93.8	Very high	85.1	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	121.8	177	-177.9	66.3	0	0	0	108.8	L212 V217 Y298 L299 Q320 Q321 E322	L212-L375 HydrophobicContact CD2-CD1 4.12Å; L212-L375 HydrophobicContact CD2-CD2 4.24Å; L212-L375 HydrophobicContact CD2-CG 4.45Å; L212-L375 HydrophobicContact CG-CD2 4.12Å; V217-L375 HydrophobicContact CG2-CD1 4.17Å; V217-L375 HydrophobicContact CG2-CD2 4.34Å; Y298-L375 WeakPolarHBondContact O-CA 3.04Å; L299-L375 HydrophobicContact CB-CD1 4.12Å; L299-L375 HydrophobicContact CD1-CD1 4.48Å; Q320-L375 PolarHBondContact NE2-O 3.13Å; Q321-L375 WeakPolarHBondContact CA-O 3.49Å; Q321-L375 HydrophobicContact CB-CB 4.31Å; Q321-L375 HydrophobicContact CB-CD2 4.04Å; Q321-L375 HydrophobicContact CB-CG 4.05Å; Q321-L375 WeakPolarHBondContact CB-O 3.38Å; Q321-L375 HydrophobicContact CG-CG 4.46Å; Q321-L375 PolarHBondContact N-O 3.46Å; E322-L375 HydrophobicContact CB-CB 3.95Å; E322-L375 HydrophobicContact CG-CB 4.35Å; E322-L375 HydrophobicContact CG-CD2 4.44Å; E322-L375 PolarHBondContact N-O 2.78Å; E322-L375 PolarHBondContact O-N 3.46Å
376	H	94.1	Very high	85.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.6	168.1	67.9	-95.7	0	0	0	110.9	A297 Y298 I318 L319 Q325	A297-H376 WeakPolarHBondContact CA-O 3.24Å; Y298-H376 WeakPolarHBondContact CB-CE1 3.37Å; Y298-H376 WeakPolarHBondContact CB-NE2 3.12Å; Y298-H376 AromaticContact CD2-CD2 3.86Å; Y298-H376 AromaticContact CD2-NE2 3.28Å; Y298-H376 VanDerWaalsContact CD2-NE2 3.28Å; Y298-H376 WeakPolarHBondContact CD2-NE2 3.22Å; Y298-H376 AromaticContact CG-CE1 3.69Å; Y298-H376 AromaticContact CG-NE2 3.44Å; Y298-H376 PolarHBondContact N-O 2.94Å; Y298-H376 PolarHBondContact O-N 2.9Å; Y298-H376 VanDerWaalsContact O-N 3.13Å; I318-H376 HydrophobicContact CG2-CB 4.29Å; L319-H376 WeakPolarHBondContact O-CA 3.26Å; Q325-H376 PolarHBondContact OE1-ND1 2.9Å
377	L	95.4	Very high	85.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.3	-179.3	-177	148.7	0	0	0	108.9	W211 L212 L278 V295 I318 L319 Q321 I379	W211-L377 HydrophobicContact CB-CD1 4.04Å; L212-L377 HydrophobicContact CB-CD1 3.97Å; L212-L377 HydrophobicContact CD2-CD1 4.24Å; L278-L377 HydrophobicContact CD2-CD1 4.07Å; V295-L377 HydrophobicContact CG1-CD1 3.55Å; V295-L377 HydrophobicContact CG1-CD2 3.8Å; V295-L377 HydrophobicContact CG1-CG 3.55Å; I318-L377 CarbonylContact C-O 3.53Å; I318-L377 WeakPolarHBondContact CA-O 3.37Å; L319-L377 HydrophobicContact CD1-CD2 4Å; L319-L377 PolarHBondContact N-O 3.25Å; L319-L377 PolarHBondContact O-N 3.25Å; Q321-L377 HydrophobicContact CG-CB 4.28Å; L377-I379 HydrophobicContact CD2-CD1 3.85Å; L377-I379 HydrophobicContact CD2-CG1 3.3Å
378	C	96.6	Very high	87.2	Confident	8 Å²	8	59 Å²	59	5%	0.054	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.9	179.2	-73.9	0	0	0	0	108.5	V295 T296 L316 F317	V295-C378 WeakPolarHBondContact CA-O 3.22Å; T296-C378 PolarHBondContact N-O 2.92Å; T296-C378 PolarHBondContact O-N 2.85Å; L316-C378 HydrophobicContact CD1-CB 3.67Å; F317-C378 CarbonylContact O-C 3.6Å; F317-C378 WeakPolarHBondContact O-CA 3.46Å
379	I	97	Very high	88.7	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.9	172.8	-49.7	-179.4	0	0	0	108	W211 F293 T294 F317 L319 L377	W211-I379 HydrophobicContact CE3-CD1 4.18Å; W211-I379 HydrophobicContact CH2-CD1 3.97Å; W211-I379 HydrophobicContact CZ2-CD1 4.49Å; W211-I379 HydrophobicContact CZ3-CD1 3.8Å; F293-I379 HydrophobicContact CD1-CG2 3.59Å; F293-I379 HydrophobicContact CE1-CG2 4.3Å; T294-I379 WeakPolarHBondContact O-CA 3.47Å; F317-I379 HydrophobicContact CB-CB 4.21Å; F317-I379 PolarHBondContact N-O 2.92Å; F317-I379 PolarHBondContact O-N 3.19Å; L319-I379 HydrophobicContact CD1-CD1 3.64Å; L319-I379 HydrophobicContact CD1-CG1 4.28Å; L377-I379 HydrophobicContact CD2-CD1 3.85Å; L377-I379 HydrophobicContact CD2-CG1 3.3Å
380	S	96.8	Very high	90.5	Very high	12 Å²	12	56 Å²	56	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.7	-178.6	-65.4	0	0	0	0	110.8	F293 T294 H314 D315	F293-S380 WeakPolarHBondContact CA-O 3.44Å; T294-S380 PolarHBondContact N-O 2.82Å; T294-S380 PolarHBondContact O-N 2.82Å; T294-S380 WeakPolarHBondContact OG1-CB 3.48Å; H314-S380 WeakPolarHBondContact CD2-CB 3.32Å; H314-S380 PolarHBondContact CD2-OG 2.82Å; H314-S380 PolarHBondContact NE2-OG 2.79Å; D315-S380 WeakPolarHBondContact O-CA 3.36Å
381	F	96.3	Very high	91.9	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	169.5	-178.9	67.3	-71.4	0	0	0	112.1	Y194 F289 F293 H314 D315 F317 Y355 Q383	Y194-F381 AromaticContact CE2-CE2 3.76Å; Y194-F381 HydrophobicContact CE2-CE2 3.76Å; Y194-F381 HydrophobicContact CE2-CZ 4.19Å; F289-F381 HydrophobicContact CD1-CD2 4.43Å; F289-F381 HydrophobicContact CD1-CE2 4.32Å; F289-F381 HydrophobicContact CE1-CD2 4.35Å; F289-F381 AromaticContact CE1-CE2 3.8Å; F289-F381 HydrophobicContact CE1-CE2 3.8Å; F289-F381 HydrophobicContact CZ-CE2 4.03Å; F293-F381 HydrophobicContact CD1-CB 3.78Å; F293-F381 HydrophobicContact CD1-CG 4.25Å; F293-F381 HydrophobicContact CD2-CB 4.06Å; F293-F381 HydrophobicContact CE1-CB 3.54Å; F293-F381 AromaticContact CE1-CD1 3.93Å; F293-F381 HydrophobicContact CE1-CD1 3.93Å; F293-F381 AromaticContact CE1-CD2 3.97Å; F293-F381 HydrophobicContact CE1-CD2 3.97Å; F293-F381 AromaticContact CE1-CG 3.57Å; F293-F381 HydrophobicContact CE1-CG 3.57Å; F293-F381 HydrophobicContact CE2-CB 3.81Å; F293-F381 HydrophobicContact CE2-CD2 4.31Å; F293-F381 HydrophobicContact CE2-CG 4.32Å; F293-F381 HydrophobicContact CG-CB 4.01Å; F293-F381 HydrophobicContact CZ-CB 3.54Å; F293-F381 HydrophobicContact CZ-CD1 4.36Å; F293-F381 AromaticContact CZ-CD2 3.56Å; F293-F381 HydrophobicContact CZ-CD2 3.56Å; F293-F381 HydrophobicContact CZ-CE2 4.29Å; F293-F381 AromaticContact CZ-CG 3.59Å; F293-F381 HydrophobicContact CZ-CG 3.59Å; H314-F381 WeakPolarHBondContact CB-O 3.28Å; D315-F381 HydrophobicContact CB-CD1 3.88Å; D315-F381 HydrophobicContact CB-CD2 4.21Å; D315-F381 HydrophobicContact CB-CE1 3.49Å; D315-F381 VanDerWaalsContact CB-CE1 3.49Å; D315-F381 HydrophobicContact CB-CE2 3.91Å; D315-F381 HydrophobicContact CB-CG 4.21Å; D315-F381 HydrophobicContact CB-CZ 3.51Å; D315-F381 PolarHBondContact N-O 3.38Å; D315-F381 VanDerWaalsContact O-CD1 3.23Å; D315-F381 WeakPolarHBondContact O-CD1 3.45Å; D315-F381 PolarHBondContact O-N 3.31Å; F317-F381 HydrophobicContact CD2-CD1 4.13Å; F317-F381 AromaticContact CD2-CE1 3.42Å; F317-F381 HydrophobicContact CD2-CE1 3.42Å; F317-F381 VanDerWaalsContact CD2-CE1 3.42Å; F317-F381 HydrophobicContact CD2-CZ 4.05Å; F317-F381 HydrophobicContact CE2-CD1 4.24Å; F317-F381 AromaticContact CE2-CE1 3.31Å; F317-F381 HydrophobicContact CE2-CE1 3.31Å; F317-F381 HydrophobicContact CE2-CE2 4.43Å; F317-F381 AromaticContact CE2-CZ 3.42Å; F317-F381 HydrophobicContact CE2-CZ 3.42Å; F317-F381 VanDerWaalsContact CE2-CZ 3.42Å; F317-F381 HydrophobicContact CG-CE1 4.35Å; F317-F381 HydrophobicContact CZ-CE1 4.17Å; F317-F381 AromaticContact CZ-CZ 4Å; F317-F381 HydrophobicContact CZ-CZ 4Å; Y355-F381 HydrophobicContact CE2-CE1 4.28Å; Y355-F381 HydrophobicContact CE2-CZ 4.03Å; F381-Q383 PolarHBondContact O-N 2.6Å
382	N	93.1	Very high	93.1	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.043	25%	0.25	C	C	.	.			trans	60.7	18.9	-173	-63.5	-32.3	0	0	0	115.8	Y194 Q195 C291 D315 K384 Y385	Y194-N382 PolarHBondContact OH-ND2 2.65Å; Q195-N382 PolarHBondContact NE2-ND2 3.37Å; C291-N382 PolarHBondContact SG-OD1 2.81Å; D315-N382 WeakPolarHBondContact OD2-CB 3.49Å; D315-N382 PolarHBondContact OD2-ND2 2.93Å; N382-K384 PolarHBondContact O-N 3.19Å; N382-Y385 PolarHBondContact O-N 3.44Å
383	Q	91.3	Very high	93.7	Very high	97 Å²	97	44 Å²	44	45%	0.453	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	130	171.1	-162.9	177	15	0	0	109.6	D313 H314 F381 Y385	D313-Q383 PolarHBondContact OD2-NE2 2.99Å; H314-Q383 HydrophobicContact CB-CB 3.96Å; H314-Q383 HydrophobicContact CB-CG 4.38Å; F381-Q383 PolarHBondContact O-N 2.6Å; Q383-Y385 PolarHBondContact O-N 3.23Å
384	K	88.6	Confident	93.9	Very high	140 Å²	140	42.6 Å²	42.6	61%	0.609	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	26.6	-176.8	-60.4	176.5	-176	171.2	0	114.8	N382 D389	N382-K384 PolarHBondContact O-N 3.19Å; K384-D389 VanDerWaalsContact C-CG 3.46Å; K384-D389 WeakPolarHBondContact CA-OD2 3.2Å; K384-D389 WeakPolarHBondContact O-CB 3.22Å; K384-D389 VanDerWaalsContact O-CG 3.29Å
385	Y	90.4	Very high	93.9	Very high	73 Å²	73	46.5 Å²	46.5	29%	0.286	23%	0.233	S	C	.	.			trans	-122.1	71.1	179.8	-165.8	-112.3	0	0	0	110.2	G290 C291 N382 Q383 D389 I529 I533	G290-Y385 PolarHBondContact O-OH 2.62Å; C291-Y385 HydrophobicContact CB-CD1 3.54Å; C291-Y385 HydrophobicContact CB-CD2 4.41Å; C291-Y385 HydrophobicContact CB-CE1 3.85Å; C291-Y385 HydrophobicContact CB-CG 3.83Å; N382-Y385 PolarHBondContact O-N 3.44Å; Q383-Y385 PolarHBondContact O-N 3.23Å; Y385-D389 PolarHBondContact N-OD2 3.01Å; Y385-I529 HydrophobicContact CD2-CG2 3.93Å; Y385-I529 HydrophobicContact CE2-CG2 3.99Å; Y385-I533 HydrophobicContact CD2-CD1 3.64Å; Y385-I533 HydrophobicContact CE2-CD1 3.64Å
386	N	90.4	Very high	93.8	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	26%	0.257	S	S	.	.	S	Bend	trans	-145.5	176	177.7	63.1	71.3	0	0	0	112.1	K358 G388 D389 Y390	K358-N386 PolarHBondContact NZ-ND2 3.16Å; N386-G388 VanDerWaalsContact C-N 3.26Å; N386-G388 PolarHBondContact O-N 3.5Å; N386-G388 WeakPolarHBondContact OD1-CA 3.28Å; N386-G388 PolarHBondContact OD1-N 3.3Å; N386-D389 PolarHBondContact N-OD2 3.17Å; N386-D389 PolarHBondContact ND2-OD2 3.44Å; N386-D389 PolarHBondContact O-N 2.89Å; N386-D389 PolarHBondContact OD1-N 2.9Å; N386-D389 PolarHBondContact OD1-OD2 2.96Å; N386-Y390 PolarHBondContact O-N 3.27Å
387	W	93.7	Very high	93.6	Very high	178 Å²	178	51 Å²	51	67%	0.674	26%	0.261	S	S	*	.	H	α-helix	trans	-56.9	-35.3	-179.8	-72.9	107.7	0	0	0	113.9	A4 Y390 L391	A4-W387 HydrophobicContact CB-CZ2 4.49Å; W387-Y390 HydrophobicContact CE3-CD1 4.19Å; W387-Y390 HydrophobicContact CZ3-CD1 4.31Å; W387-Y390 PolarHBondContact O-N 2.83Å; W387-L391 WeakPolarHBondContact O-CB 3.14Å; W387-L391 VanDerWaalsContact O-CG 3.22Å; W387-L391 WeakPolarHBondContact O-CG 3.37Å; W387-L391 PolarHBondContact O-N 3.42Å
388	G	94.1	Very high	93.3	Very high	38 Å²	38	51.1 Å²	51.1	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-44.7	177.6	0	0	0	0	0	111.9	N386 Y390 L391 S392	N386-G388 VanDerWaalsContact C-N 3.26Å; N386-G388 PolarHBondContact O-N 3.5Å; N386-G388 WeakPolarHBondContact OD1-CA 3.28Å; N386-G388 PolarHBondContact OD1-N 3.3Å; G388-Y390 VanDerWaalsContact C-N 3.32Å; G388-Y390 PolarHBondContact O-N 2.82Å; G388-L391 PolarHBondContact O-N 2.85Å; G388-S392 WeakPolarHBondContact O-CB 3.3Å; G388-S392 PolarHBondContact O-N 3.44Å; G388-S392 PolarHBondContact O-OG 3.27Å
389	D	93.1	Very high	93	Very high	48 Å²	48	54.2 Å²	54.2	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-40.4	175.2	-59.1	-63.5	0	0	0	111.1	K384 Y385 N386 S392 E393	K384-D389 VanDerWaalsContact C-CG 3.46Å; K384-D389 WeakPolarHBondContact CA-OD2 3.2Å; K384-D389 WeakPolarHBondContact O-CB 3.22Å; K384-D389 VanDerWaalsContact O-CG 3.29Å; Y385-D389 PolarHBondContact N-OD2 3.01Å; N386-D389 PolarHBondContact N-OD2 3.17Å; N386-D389 PolarHBondContact ND2-OD2 3.44Å; N386-D389 PolarHBondContact O-N 2.89Å; N386-D389 PolarHBondContact OD1-N 2.9Å; N386-D389 PolarHBondContact OD1-OD2 2.96Å; D389-S392 WeakPolarHBondContact O-CB 2.89Å; D389-S392 PolarHBondContact O-N 3.25Å; D389-E393 PolarHBondContact O-N 2.93Å
390	Y	95.9	Very high	92.4	Very high	34 Å²	34	59.6 Å²	59.6	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-48.7	175.9	175.8	-96.5	0	0	0	113.4	N386 W387 G388 S392 E393 L394 L522 A525 I526 I529	N386-Y390 PolarHBondContact O-N 3.27Å; W387-Y390 HydrophobicContact CE3-CD1 4.19Å; W387-Y390 HydrophobicContact CZ3-CD1 4.31Å; W387-Y390 PolarHBondContact O-N 2.83Å; G388-Y390 VanDerWaalsContact C-N 3.32Å; G388-Y390 PolarHBondContact O-N 2.82Å; Y390-S392 PolarHBondContact O-N 3.13Å; Y390-E393 PolarHBondContact O-N 2.85Å; Y390-E393 VanDerWaalsContact O-N 3.12Å; Y390-L394 HydrophobicContact CE1-CB 4.48Å; Y390-L394 HydrophobicContact CE1-CD2 3.98Å; Y390-L394 PolarHBondContact O-N 3.38Å; Y390-L522 HydrophobicContact CE1-CD2 4.44Å; Y390-L522 WeakPolarHBondContact OH-CA 3.4Å; Y390-L522 VanDerWaalsContact OH-CB 3.28Å; Y390-L522 WeakPolarHBondContact OH-CB 3.35Å; Y390-L522 VanDerWaalsContact OH-CD2 3.27Å; Y390-L522 WeakPolarHBondContact OH-CD2 3.25Å; Y390-L522 PolarHBondContact OH-O 3.3Å; Y390-A525 HydrophobicContact CD2-CB 4.38Å; Y390-A525 HydrophobicContact CE2-CB 3.76Å; Y390-I526 HydrophobicContact CD2-CD1 4.1Å; Y390-I526 HydrophobicContact CE2-CB 4.06Å; Y390-I526 HydrophobicContact CE2-CD1 4.28Å; Y390-I529 VanDerWaalsContact CA-CD1 3.41Å; Y390-I529 HydrophobicContact CD2-CD1 3.56Å; Y390-I529 HydrophobicContact CG-CD1 4.11Å
391	L	96	Very high	91.7	Very high	77 Å²	77	60 Å²	60	40%	0.403	30%	0.301	S	S	.	.	H	α-helix	trans	-64.8	-30	177.7	-69.9	173.9	0	0	0	111.9	W387 G388 E393 L394 L395	W387-L391 WeakPolarHBondContact O-CB 3.14Å; W387-L391 VanDerWaalsContact O-CG 3.22Å; W387-L391 WeakPolarHBondContact O-CG 3.37Å; W387-L391 PolarHBondContact O-N 3.42Å; G388-L391 PolarHBondContact O-N 2.85Å; L391-E393 VanDerWaalsContact C-N 3.28Å; L391-E393 PolarHBondContact O-N 2.98Å; L391-L394 HydrophobicContact CD2-CD2 4.01Å; L391-L394 PolarHBondContact O-N 3.34Å; L391-L395 WeakPolarHBondContact O-CB 3.28Å; L391-L395 WeakPolarHBondContact O-CG 3.36Å; L391-L395 PolarHBondContact O-N 3.31Å
392	S	95	Very high	91.3	Very high	77 Å²	77	59.9 Å²	59.9	54%	0.538	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-28	175.2	-60	0	0	0	0	112.8	G388 D389 Y390 P396	G388-S392 WeakPolarHBondContact O-CB 3.3Å; G388-S392 PolarHBondContact O-N 3.44Å; G388-S392 PolarHBondContact O-OG 3.27Å; D389-S392 WeakPolarHBondContact O-CB 2.89Å; D389-S392 PolarHBondContact O-N 3.25Å; Y390-S392 PolarHBondContact O-N 3.13Å; S392-P396 WeakPolarHBondContact O-CD 3.44Å; S392-P396 WeakPolarHBondContact O-CG 3.49Å
393	E	94.1	Very high	91.1	Very high	32 Å²	32	62 Å²	62	15%	0.15	31%	0.314	C	S	.	.	H	α-helix	trans	-81.1	-41	169.4	-68.8	-56.1	142.6	0	0	112.3	D389 Y390 L391 I397 A525 K528 I529 K532	D389-E393 PolarHBondContact O-N 2.93Å; Y390-E393 PolarHBondContact O-N 2.85Å; Y390-E393 VanDerWaalsContact O-N 3.12Å; L391-E393 VanDerWaalsContact C-N 3.28Å; L391-E393 PolarHBondContact O-N 2.98Å; E393-I397 VanDerWaalsContact O-CD1 3.25Å; E393-I397 WeakPolarHBondContact O-CD1 3.36Å; E393-I397 VanDerWaalsContact O-CG1 3.3Å; E393-I397 WeakPolarHBondContact O-CG1 3.23Å; E393-A525 HydrophobicContact CB-CB 4.23Å; E393-K528 HydrophobicContact CG-CB 4.32Å; E393-K528 WeakPolarHBondContact OE2-CD 3.38Å; E393-I529 HydrophobicContact CG-CG1 3.9Å; E393-K532 WeakPolarHBondContact OE1-CE 3.36Å; E393-K532 IonicContact OE1-NZ 3.95Å; E393-K532 PolarHBondContact OE1-NZ 3.17Å
394	L	93.8	Very high	90.7	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-47.2	-175.7	177.8	63.3	0	0	0	113.3	Y390 L391 I397 M398 I456 P521 L522 A525	Y390-L394 HydrophobicContact CE1-CB 4.48Å; Y390-L394 HydrophobicContact CE1-CD2 3.98Å; Y390-L394 PolarHBondContact O-N 3.38Å; L391-L394 HydrophobicContact CD2-CD2 4.01Å; L391-L394 PolarHBondContact O-N 3.34Å; L394-I397 WeakPolarHBondContact O-CB 3.44Å; L394-I397 PolarHBondContact O-N 3.04Å; L394-M398 HydrophobicContact CD1-CG 3.78Å; L394-M398 HydrophobicContact CG-CG 4.04Å; L394-M398 WeakPolarHBondContact O-CG 3.4Å; L394-M398 PolarHBondContact O-N 2.85Å; L394-I456 HydrophobicContact CD2-CD1 4.45Å; L394-P521 HydrophobicContact CD1-CB 3.76Å; L394-L522 HydrophobicContact CD1-CD2 3.84Å; L394-L522 HydrophobicContact CD2-CD2 3.51Å; L394-L522 HydrophobicContact CG-CD2 4.34Å; L394-A525 HydrophobicContact CB-CB 3.83Å; L394-A525 HydrophobicContact CD1-CB 4.08Å
395	L	93	Very high	90.4	Very high	83 Å²	83	59.2 Å²	59.2	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-62.1	-45.2	-171.7	-72.1	171.3	0	0	0	112.7	L391 I397 M398 M399 L452	L391-L395 WeakPolarHBondContact O-CB 3.28Å; L391-L395 WeakPolarHBondContact O-CG 3.36Å; L391-L395 PolarHBondContact O-N 3.31Å; L395-I397 VanDerWaalsContact C-N 3.32Å; L395-I397 PolarHBondContact O-N 2.92Å; L395-M398 PolarHBondContact O-N 3.5Å; L395-M399 WeakPolarHBondContact O-CB 3.5Å; L395-M399 VanDerWaalsContact O-CG 3.31Å; L395-M399 WeakPolarHBondContact O-CG 3.32Å; L395-M399 PolarHBondContact O-N 3.26Å; L395-L452 HydrophobicContact CD2-CD2 4.16Å
396	P	91.6	Very high	90.3	Very high	77 Å²	77	56 Å²	56	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-39.4	174.6	-25.1	35.4	0	0	0	113.2	S392 M399 K400	S392-P396 WeakPolarHBondContact O-CD 3.44Å; S392-P396 WeakPolarHBondContact O-CG 3.49Å; P396-M399 PolarHBondContact O-N 2.86Å; P396-K400 WeakPolarHBondContact O-CB 3.31Å; P396-K400 PolarHBondContact O-N 3.14Å
397	I	89.1	Confident	90.3	Very high	16 Å²	16	57.7 Å²	57.7	8%	0.082	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-49.7	176.4	-71.8	169.3	0	0	0	110.1	E393 L394 L395 K400 N401 F462 P521 L524 A525 K528	E393-I397 VanDerWaalsContact O-CD1 3.25Å; E393-I397 WeakPolarHBondContact O-CD1 3.36Å; E393-I397 VanDerWaalsContact O-CG1 3.3Å; E393-I397 WeakPolarHBondContact O-CG1 3.23Å; L394-I397 WeakPolarHBondContact O-CB 3.44Å; L394-I397 PolarHBondContact O-N 3.04Å; L395-I397 VanDerWaalsContact C-N 3.32Å; L395-I397 PolarHBondContact O-N 2.92Å; I397-K400 PolarHBondContact O-N 3.13Å; I397-N401 PolarHBondContact O-N 2.69Å; I397-F462 HydrophobicContact CG2-CD2 4.37Å; I397-F462 HydrophobicContact CG2-CE2 3.36Å; I397-F462 HydrophobicContact CG2-CZ 3.89Å; I397-P521 HydrophobicContact CG2-CB 4.33Å; I397-L524 HydrophobicContact CD1-CB 4.23Å; I397-L524 HydrophobicContact CD1-CD2 4.03Å; I397-L524 HydrophobicContact CD1-CG 3.92Å; I397-L524 HydrophobicContact CG1-CD2 4.27Å; I397-L524 HydrophobicContact CG2-CD2 3.88Å; I397-A525 HydrophobicContact CD1-CB 4.17Å; I397-K528 HydrophobicContact CD1-CD 4Å
398	M	89.5	Confident	90.2	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-46.4	177.9	-75.9	-64.8	-55.4	0	0	112	L394 L395 K400 N401 V402 L452 K455 I456 F462 P521	L394-M398 HydrophobicContact CD1-CG 3.78Å; L394-M398 HydrophobicContact CG-CG 4.04Å; L394-M398 WeakPolarHBondContact O-CG 3.4Å; L394-M398 PolarHBondContact O-N 2.85Å; L395-M398 PolarHBondContact O-N 3.5Å; M398-K400 PolarHBondContact O-N 3.44Å; M398-N401 PolarHBondContact O-N 3.16Å; M398-V402 WeakPolarHBondContact O-CG2 3.36Å; M398-V402 PolarHBondContact O-N 2.86Å; M398-L452 HydrophobicContact CB-CD1 4Å; M398-L452 HydrophobicContact CE-CD1 3.74Å; M398-L452 HydrophobicContact CE-CG 4.29Å; M398-K455 HydrophobicContact CE-CB 4.47Å; M398-I456 HydrophobicContact CE-CD1 3.98Å; M398-I456 HydrophobicContact CE-CG1 3.36Å; M398-I456 HydrophobicContact CG-CD1 4.17Å; M398-I456 HydrophobicContact CG-CG1 4.41Å; M398-I456 HydrophobicContact SD-CD1 4.21Å; M398-I456 HydrophobicContact SD-CG1 3.79Å; M398-F462 HydrophobicContact SD-CE1 4.07Å; M398-F462 HydrophobicContact SD-CZ 3.63Å; M398-P521 HydrophobicContact CG-CB 4.13Å; M398-P521 HydrophobicContact SD-CB 3.34Å; M398-P521 WeakPolarHBondContact SD-CB 3.28Å; M398-P521 HydrophobicContact SD-CG 3.22Å; M398-P521 WeakPolarHBondContact SD-CG 3.42Å
399	M	90	Very high	90.1	Very high	74 Å²	74	51.8 Å²	51.8	37%	0.365	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-46.1	179.9	-77.8	-56.6	-58.5	0	0	111.8	L395 P396 N401 V402 V403 F409 L452	L395-M399 WeakPolarHBondContact O-CB 3.5Å; L395-M399 VanDerWaalsContact O-CG 3.31Å; L395-M399 WeakPolarHBondContact O-CG 3.32Å; L395-M399 PolarHBondContact O-N 3.26Å; P396-M399 PolarHBondContact O-N 2.86Å; M399-N401 VanDerWaalsContact C-N 3.26Å; M399-N401 PolarHBondContact O-N 3.5Å; M399-V402 HydrophobicContact CE-CG2 4.49Å; M399-V402 WeakPolarHBondContact O-CG2 3.43Å; M399-V402 PolarHBondContact O-N 3.17Å; M399-V402 HydrophobicContact SD-CG2 4.12Å; M399-V403 HydrophobicContact CE-CG2 4.19Å; M399-V403 WeakPolarHBondContact O-CB 3.48Å; M399-V403 VanDerWaalsContact O-CG2 3.28Å; M399-V403 WeakPolarHBondContact O-CG2 3.31Å; M399-V403 PolarHBondContact O-N 2.95Å; M399-F409 HydrophobicContact CE-CD1 4.15Å; M399-F409 HydrophobicContact SD-CD1 4.47Å; M399-F409 HydrophobicContact SD-CE1 4.4Å; M399-L452 HydrophobicContact SD-CD2 4.18Å
400	K	85.4	Confident	90	Very high	113 Å²	113	55 Å²	55	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-54.1	-45.9	176	-174.3	178.6	179.4	-178.8	0	111.2	P396 I397 M398 E404	P396-K400 WeakPolarHBondContact O-CB 3.31Å; P396-K400 PolarHBondContact O-N 3.14Å; I397-K400 PolarHBondContact O-N 3.13Å; M398-K400 PolarHBondContact O-N 3.44Å; K400-E404 WeakPolarHBondContact O-CG 3.23Å; K400-E404 PolarHBondContact O-N 3.36Å
401	N	82.1	Confident	89.8	Confident	20 Å²	20	58.9 Å²	58.9	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-69	-44	-179.8	179.4	73.3	0	0	0	113.9	I397 M398 M399 E404 N405 F462	I397-N401 PolarHBondContact O-N 2.69Å; M398-N401 PolarHBondContact O-N 3.16Å; M399-N401 VanDerWaalsContact C-N 3.26Å; M399-N401 PolarHBondContact O-N 3.5Å; N401-E404 PolarHBondContact O-N 3.21Å; N401-N405 PolarHBondContact O-N 2.87Å; N401-N405 VanDerWaalsContact O-N 3.15Å; N401-N405 PolarHBondContact O-ND2 2.98Å; N401-N405 PolarHBondContact OD1-ND2 3.09Å; N401-F462 HydrophobicContact CB-CD1 3.36Å; N401-F462 HydrophobicContact CB-CE1 3.09Å; N401-F462 HydrophobicContact CB-CG 4.17Å; N401-F462 HydrophobicContact CB-CZ 3.71Å; N401-F462 WeakPolarHBondContact ND2-CD1 3.37Å; N401-F462 WeakPolarHBondContact ND2-CE1 3.04Å; N401-F462 WeakPolarHBondContact OD1-CD1 3.33Å
402	V	87.8	Confident	89.6	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.6	-33.8	-177.3	-63.3	0	0	0	0	112.1	M398 M399 E404 N405 D406 F409 L452 K455	M398-V402 WeakPolarHBondContact O-CG2 3.36Å; M398-V402 PolarHBondContact O-N 2.86Å; M399-V402 HydrophobicContact CE-CG2 4.49Å; M399-V402 WeakPolarHBondContact O-CG2 3.43Å; M399-V402 PolarHBondContact O-N 3.17Å; M399-V402 HydrophobicContact SD-CG2 4.12Å; V402-E404 VanDerWaalsContact C-N 3.26Å; V402-E404 PolarHBondContact O-N 3.39Å; V402-N405 PolarHBondContact O-N 3.41Å; V402-D406 WeakPolarHBondContact O-CA 3.44Å; V402-D406 VanDerWaalsContact O-CB 3.29Å; V402-D406 WeakPolarHBondContact O-CB 3.45Å; V402-D406 PolarHBondContact O-N 3.4Å; V402-F409 HydrophobicContact CB-CD1 4.35Å; V402-F409 HydrophobicContact CB-CD2 4.01Å; V402-F409 HydrophobicContact CB-CE2 4.17Å; V402-F409 HydrophobicContact CB-CG 4.07Å; V402-F409 HydrophobicContact CB-CZ 4.41Å; V402-F409 HydrophobicContact CG2-CB 4.32Å; V402-F409 HydrophobicContact CG2-CD1 3.6Å; V402-F409 HydrophobicContact CG2-CD2 4.16Å; V402-F409 HydrophobicContact CG2-CE1 3.81Å; V402-F409 HydrophobicContact CG2-CE2 4.33Å; V402-F409 HydrophobicContact CG2-CG 3.77Å; V402-F409 HydrophobicContact CG2-CZ 4.15Å; V402-L452 HydrophobicContact CB-CD1 4.3Å; V402-L452 HydrophobicContact CG1-CD1 3.53Å; V402-L452 HydrophobicContact CG2-CD1 3.81Å; V402-K455 HydrophobicContact CG1-CD 3.5Å; V402-K455 VanDerWaalsContact CG1-CD 3.5Å
403	V	87.5	Confident	89.5	Confident	53 Å²	53	62.4 Å²	62.4	32%	0.321	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-37.1	174.3	171.1	0	0	0	0	111	M399 F409	M399-V403 HydrophobicContact CE-CG2 4.19Å; M399-V403 WeakPolarHBondContact O-CB 3.48Å; M399-V403 VanDerWaalsContact O-CG2 3.28Å; M399-V403 WeakPolarHBondContact O-CG2 3.31Å; M399-V403 PolarHBondContact O-N 2.95Å; V403-F409 HydrophobicContact CG2-CB 4.23Å
404	E	83.4	Confident	89.3	Confident	93 Å²	93	63.1 Å²	63.1	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-75	-28.9	179	-72.7	-173	-143.2	0	0	114.1	K400 N401 V402 K466	K400-E404 WeakPolarHBondContact O-CG 3.23Å; K400-E404 PolarHBondContact O-N 3.36Å; N401-E404 PolarHBondContact O-N 3.21Å; V402-E404 VanDerWaalsContact C-N 3.26Å; V402-E404 PolarHBondContact O-N 3.39Å; E404-K466 VanDerWaalsContact OE2-CE 3.26Å; E404-K466 WeakPolarHBondContact OE2-CE 3.47Å; E404-K466 IonicContact OE2-NZ 3.52Å; E404-K466 PolarHBondContact OE2-NZ 2.93Å
405	N	82.5	Confident	89	Confident	85 Å²	85	70.2 Å²	70.2	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-120.5	-13.3	-167.2	-62.9	-69.2	0	0	0	115	N401 V402	N401-N405 PolarHBondContact O-N 2.87Å; N401-N405 VanDerWaalsContact O-N 3.15Å; N401-N405 PolarHBondContact O-ND2 2.98Å; N401-N405 PolarHBondContact OD1-ND2 3.09Å; V402-N405 PolarHBondContact O-N 3.41Å
406	D	87.8	Confident	88.5	Confident	5 Å²	5	70 Å²	70	3%	0.027	37%	0.374	C	S	.	.			trans	-120.5	105.6	179.9	-163.9	-33.1	0	0	0	109.2	V402 E408 F409 R451 K455	V402-D406 WeakPolarHBondContact O-CA 3.44Å; V402-D406 VanDerWaalsContact O-CB 3.29Å; V402-D406 WeakPolarHBondContact O-CB 3.45Å; V402-D406 PolarHBondContact O-N 3.4Å; D406-E408 PolarHBondContact O-N 2.86Å; D406-E408 PolarHBondContact OD1-N 3.38Å; D406-F409 HydrophobicContact CB-CD2 3.78Å; D406-F409 HydrophobicContact CB-CE2 4.39Å; D406-F409 PolarHBondContact O-N 2.84Å; D406-R451 IonicContact OD1-CZ 3.15Å; D406-R451 IonicContact OD1-NE 2.77Å; D406-R451 IonicContact OD1-NH2 3.67Å; D406-R451 PolarHBondContact OD1-NH2 3.12Å; D406-R451 IonicContact OD2-CZ 2.66Å; D406-R451 IonicContact OD2-NE 3.69Å; D406-R451 PolarHBondContact OD2-NE 3.37Å; D406-R451 IonicContact OD2-NH2 2.65Å; D406-R451 PolarHBondContact OD2-NH2 3.25Å; D406-K455 WeakPolarHBondContact OD2-CE 3.44Å; D406-K455 IonicContact OD2-NZ 3.71Å; D406-K455 PolarHBondContact OD2-NZ 2.77Å
407	P	90.3	Very high	88.3	Confident	99 Å²	99	66.7 Å²	66.7	64%	0.643	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-60.7	-23.6	-171.7	24.7	-34.3	0	0	0	112.6	F409 N410 K411	P407-F409 VanDerWaalsContact C-N 3.29Å; P407-F409 PolarHBondContact O-N 3.1Å; P407-N410 PolarHBondContact O-N 3.37Å; P407-N410 VanDerWaalsContact O-N 3.14Å; P407-K411 PolarHBondContact O-N 3.34Å
408	E	91.8	Very high	88	Confident	62 Å²	62	74.2 Å²	74.2	29%	0.29	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-61.8	-37.8	176.4	-163.3	65.3	-152.5	0	0	112.1	D406 N410 K411 L448	D406-E408 PolarHBondContact O-N 2.86Å; D406-E408 PolarHBondContact OD1-N 3.38Å; E408-N410 VanDerWaalsContact C-N 3.26Å; E408-N410 PolarHBondContact O-N 3.34Å; E408-K411 PolarHBondContact O-N 3.07Å; E408-K411 IonicContact OE1-NZ 3.94Å; E408-K411 PolarHBondContact OE1-NZ 3.06Å; E408-K411 VanDerWaalsContact OE1-NZ 3.13Å; E408-K411 WeakPolarHBondContact OE2-CE 3.43Å; E408-K411 IonicContact OE2-NZ 2.66Å; E408-K411 PolarHBondContact OE2-NZ 3.12Å; E408-L448 HydrophobicContact CB-CD2 4.3Å; E408-L448 HydrophobicContact CG-CD2 3.68Å
409	F	92.3	Very high	87.5	Confident	30 Å²	30	80 Å²	80	13%	0.132	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-75.8	-15.3	178.2	-74.1	-97.3	0	0	0	112.9	M399 V402 V403 D406 P407 L448 R451 L452	M399-F409 HydrophobicContact CE-CD1 4.15Å; M399-F409 HydrophobicContact SD-CD1 4.47Å; M399-F409 HydrophobicContact SD-CE1 4.4Å; V402-F409 HydrophobicContact CB-CD1 4.35Å; V402-F409 HydrophobicContact CB-CD2 4.01Å; V402-F409 HydrophobicContact CB-CE2 4.17Å; V402-F409 HydrophobicContact CB-CG 4.07Å; V402-F409 HydrophobicContact CB-CZ 4.41Å; V402-F409 HydrophobicContact CG2-CB 4.32Å; V402-F409 HydrophobicContact CG2-CD1 3.6Å; V402-F409 HydrophobicContact CG2-CD2 4.16Å; V402-F409 HydrophobicContact CG2-CE1 3.81Å; V402-F409 HydrophobicContact CG2-CE2 4.33Å; V402-F409 HydrophobicContact CG2-CG 3.77Å; V402-F409 HydrophobicContact CG2-CZ 4.15Å; V403-F409 HydrophobicContact CG2-CB 4.23Å; D406-F409 HydrophobicContact CB-CD2 3.78Å; D406-F409 HydrophobicContact CB-CE2 4.39Å; D406-F409 PolarHBondContact O-N 2.84Å; P407-F409 VanDerWaalsContact C-N 3.29Å; P407-F409 PolarHBondContact O-N 3.1Å; F409-L448 HydrophobicContact CD1-CD2 4.32Å; F409-L448 HydrophobicContact CD2-CD2 4.12Å; F409-L448 HydrophobicContact CE1-CB 4.14Å; F409-L448 HydrophobicContact CE1-CD2 4.17Å; F409-L448 HydrophobicContact CE2-CD2 3.98Å; F409-L448 HydrophobicContact CG-CD2 4.31Å; F409-L448 HydrophobicContact CZ-CB 4.28Å; F409-L448 HydrophobicContact CZ-CD2 4.02Å; F409-L448 VanDerWaalsContact CZ-O 3.29Å; F409-L448 WeakPolarHBondContact CZ-O 3.48Å; F409-R451 HydrophobicContact CE2-CB 4.46Å; F409-R451 HydrophobicContact CE2-CG 4.21Å; F409-R451 HydrophobicContact CZ-CB 4.44Å; F409-L452 HydrophobicContact CZ-CB 4.27Å
410	N	90.4	Very high	87	Confident	116 Å²	116	79.6 Å²	79.6	62%	0.62	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-99.8	3.5	178.4	-161	31	0	0	0	112.9	P407 E408	P407-N410 PolarHBondContact O-N 3.37Å; P407-N410 VanDerWaalsContact O-N 3.14Å; E408-N410 VanDerWaalsContact C-N 3.26Å; E408-N410 PolarHBondContact O-N 3.34Å
411	K	92.6	Very high	86.8	Confident	116 Å²	116	76 Å²	76	50%	0.504	39%	0.394	S	S	.	.	S	Bend	trans	-69	144.8	173.6	-75.5	178.4	178.8	173.8	0	110.6	P407 E408	P407-K411 PolarHBondContact O-N 3.34Å; E408-K411 PolarHBondContact O-N 3.07Å; E408-K411 IonicContact OE1-NZ 3.94Å; E408-K411 PolarHBondContact OE1-NZ 3.06Å; E408-K411 VanDerWaalsContact OE1-NZ 3.13Å; E408-K411 WeakPolarHBondContact OE2-CE 3.43Å; E408-K411 IonicContact OE2-NZ 2.66Å; E408-K411 PolarHBondContact OE2-NZ 3.12Å
412	P	92.5	Very high	86.8	Confident	120 Å²	120	77.6 Å²	77.6	78%	0.779	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-63.2	153.1	170.6	29	-34.6	0	0	0	110.3
413	L	92.5	Very high	86.5	Confident	107 Å²	107	85.4 Å²	85.4	56%	0.56	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-61.3	152.5	171.6	-64.6	177.6	0	0	0	110.7	F441	L413-F441 HydrophobicContact CD2-CE2 4.16Å; L413-F441 HydrophobicContact CD2-CZ 4.42Å
414	P	90.6	Very high	85.8	Confident	47 Å²	47	92.5 Å²	92.5	31%	0.305	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-53.6	142.4	176.2	-25.8	34.3	0	0	0	112.3	S417 F437 F441	P414-S417 WeakPolarHBondContact O-CB 3.22Å; P414-S417 PolarHBondContact O-N 2.9Å; P414-S417 VanDerWaalsContact O-N 3.17Å; P414-S417 PolarHBondContact O-OG 2.9Å; P414-F437 HydrophobicContact CB-CE2 3.86Å; P414-F437 HydrophobicContact CB-CZ 3.84Å; P414-F441 HydrophobicContact CG-CD2 4.4Å
415	L	87.2	Confident	85.2	Confident	156 Å²	156	93 Å²	93	82%	0.817	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	143.6	178.5	-71.8	169.8	0	0	0	110.6	S417	L415-S417 PolarHBondContact O-N 2.78Å
416	N	82.4	Confident	83.9	Confident	78 Å²	78	94.6 Å²	94.6	42%	0.417	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	16.2	-178.1	-57.9	-47	0	0	0	115.7	F418 K419 H420	N416-F418 VanDerWaalsContact C-N 3.25Å; N416-F418 PolarHBondContact O-N 3Å; N416-F418 VanDerWaalsContact O-N 3.15Å; N416-K419 HydrophobicContact CB-CB 4.22Å; N416-K419 HydrophobicContact CB-CD 4.12Å; N416-K419 HydrophobicContact CB-CG 4.39Å; N416-K419 WeakPolarHBondContact O-CA 3.45Å; N416-K419 WeakPolarHBondContact O-CB 3.37Å; N416-K419 PolarHBondContact O-N 3.02Å; N416-K419 WeakPolarHBondContact OD1-CD 3.41Å; N416-K419 WeakPolarHBondContact OD1-CE 3.47Å; N416-K419 PolarHBondContact OD1-NZ 3.22Å; N416-H420 PolarHBondContact O-CD2 2.89Å; N416-H420 VanDerWaalsContact O-CD2 3.26Å; N416-H420 PolarHBondContact O-N 3Å
417	S	86.5	Confident	82.6	Confident	7 Å²	7	103 Å²	103	5%	0.049	53%	0.527	C	S	.	.	H	α-helix	trans	-46.1	-48.1	174.9	-70.6	0	0	0	0	113	P414 L415 K419 H420 L421	P414-S417 WeakPolarHBondContact O-CB 3.22Å; P414-S417 PolarHBondContact O-N 2.9Å; P414-S417 VanDerWaalsContact O-N 3.17Å; P414-S417 PolarHBondContact O-OG 2.9Å; L415-S417 PolarHBondContact O-N 2.78Å; S417-K419 PolarHBondContact O-N 2.83Å; S417-H420 PolarHBondContact O-N 2.89Å; S417-L421 VanDerWaalsContact O-CB 3.27Å; S417-L421 WeakPolarHBondContact O-CB 3.39Å; S417-L421 WeakPolarHBondContact O-CG 3.4Å; S417-L421 PolarHBondContact O-N 3.4Å
418	F	82.5	Confident	81.1	Confident	174 Å²	174	102.7 Å²	102.7	76%	0.763	52%	0.52	S	S	*	.	H	α-helix	trans	-70.5	-12.8	179.5	-57.2	-74.9	0	0	0	115.1	N416 F425	N416-F418 VanDerWaalsContact C-N 3.25Å; N416-F418 PolarHBondContact O-N 3Å; N416-F418 VanDerWaalsContact O-N 3.15Å; F418-F425 WeakPolarHBondContact O-CE2 3.32Å
419	K	80.1	Confident	79.5	Confident	125 Å²	125	104 Å²	104	54%	0.543	54%	0.542	S	S	.	.	H	α-helix	trans	-93	-9	176.2	-62.4	-175.9	-175	160.2	0	113.1	N416 S417 F425	N416-K419 HydrophobicContact CB-CB 4.22Å; N416-K419 HydrophobicContact CB-CD 4.12Å; N416-K419 HydrophobicContact CB-CG 4.39Å; N416-K419 WeakPolarHBondContact O-CA 3.45Å; N416-K419 WeakPolarHBondContact O-CB 3.37Å; N416-K419 PolarHBondContact O-N 3.02Å; N416-K419 WeakPolarHBondContact OD1-CD 3.41Å; N416-K419 WeakPolarHBondContact OD1-CE 3.47Å; N416-K419 PolarHBondContact OD1-NZ 3.22Å; S417-K419 PolarHBondContact O-N 2.83Å; K419-F425 WeakPolarHBondContact O-CD1 3.29Å; K419-F425 WeakPolarHBondContact O-CE1 3.34Å; K419-F425 WeakPolarHBondContact O-CZ 3.33Å
420	H	78.4	Confident	78.2	Confident	66 Å²	66	106.9 Å²	106.9	31%	0.306	57%	0.571	S	S	.	*	H	α-helix	trans	-128.2	-17.5	-175.8	-59.4	-59.5	0	0	0	112.4	N416 S417 F437	N416-H420 PolarHBondContact O-CD2 2.89Å; N416-H420 VanDerWaalsContact O-CD2 3.26Å; N416-H420 PolarHBondContact O-N 3Å; S417-H420 PolarHBondContact O-N 2.89Å; H420-F437 HydrophobicContact CB-CD1 3.7Å; H420-F437 HydrophobicContact CB-CE1 4.09Å; H420-F437 HydrophobicContact CB-CG 4.3Å
421	L	82.5	Confident	77.6	Confident	38 Å²	38	105.1 Å²	105.1	20%	0.199	56%	0.562	C	S	.	*			trans	-117.7	136.9	-178.9	-54	172.7	0	0	0	110.7	S417 F437 E438 F441	S417-L421 VanDerWaalsContact O-CB 3.27Å; S417-L421 WeakPolarHBondContact O-CB 3.39Å; S417-L421 WeakPolarHBondContact O-CG 3.4Å; S417-L421 PolarHBondContact O-N 3.4Å; L421-F437 HydrophobicContact CD1-CD1 4.38Å; L421-F437 HydrophobicContact CD1-CE1 3.72Å; L421-F437 HydrophobicContact CD2-CD1 4.06Å; L421-F437 HydrophobicContact CD2-CE1 4.22Å; L421-F437 HydrophobicContact CG-CD1 4.08Å; L421-F437 HydrophobicContact CG-CE1 3.76Å; L421-E438 HydrophobicContact CD2-CB 4.11Å; L421-E438 HydrophobicContact CD2-CG 4.04Å; L421-F441 HydrophobicContact CD1-CB 4.14Å; L421-F441 HydrophobicContact CD1-CD1 3.69Å; L421-F441 HydrophobicContact CD1-CD2 3.48Å; L421-F441 VanDerWaalsContact CD1-CD2 3.48Å; L421-F441 HydrophobicContact CD1-CE1 3.9Å; L421-F441 HydrophobicContact CD1-CE2 3.68Å; L421-F441 HydrophobicContact CD1-CG 3.48Å; L421-F441 VanDerWaalsContact CD1-CG 3.48Å; L421-F441 HydrophobicContact CD1-CZ 3.89Å
422	G	81.9	Confident	77	Confident	53 Å²	53	104.6 Å²	104.6	55%	0.546	56%	0.564	S	S	.	*	S	Bend	trans	153.1	158.2	174.7	0	0	0	0	0	112.5	F424 F425	G422-F424 PolarHBondContact O-N 2.88Å; G422-F425 PolarHBondContact O-N 2.95Å
423	I	80.2	Confident	76.4	Confident	163 Å²	163	105.8 Å²	105.8	84%	0.836	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-31.2	-177.6	-62	171.1	0	0	0	111.9
424	F	74	Confident	75.7	Confident	202 Å²	202	101.7 Å²	101.7	89%	0.886	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	3.1	-177.7	-57.5	-70.6	0	0	0	113.9	G422 N426	G422-F424 PolarHBondContact O-N 2.88Å; F424-N426 PolarHBondContact O-N 3.16Å
425	F	69.6	Low	75.2	Confident	104 Å²	104	102.4 Å²	102.4	46%	0.456	54%	0.541	S	S	.	.	S	Bend	trans	-73.3	121	172.3	-100.7	-78.1	0	0	0	109.2	F418 K419 G422 K427	F418-F425 WeakPolarHBondContact O-CE2 3.32Å; K419-F425 WeakPolarHBondContact O-CD1 3.29Å; K419-F425 WeakPolarHBondContact O-CE1 3.34Å; K419-F425 WeakPolarHBondContact O-CZ 3.33Å; G422-F425 PolarHBondContact O-N 2.95Å; F425-K427 PolarHBondContact O-N 3.46Å
426	N	55.2	Low	75.2	Confident	119 Å²	119	99.9 Å²	99.9	64%	0.636	53%	0.525	S	S	*	.			trans	-64.9	120.2	-171.3	-158.6	14.4	0	0	0	109.5	F424 D428	F424-N426 PolarHBondContact O-N 3.16Å; N426-D428 PolarHBondContact ND2-OD1 3.29Å; N426-D428 PolarHBondContact ND2-OD2 3.22Å; N426-D428 PolarHBondContact O-N 3Å
427	K	60.4	Low	75.4	Confident	181 Å²	181	97.9 Å²	97.9	79%	0.787	51%	0.512	S	S	*	.			trans	-75.2	52.7	171.5	-63.4	-178.5	180	-179.2	0	109.5	F425 A429	F425-K427 PolarHBondContact O-N 3.46Å; K427-A429 VanDerWaalsContact C-N 3.32Å; K427-A429 PolarHBondContact O-N 2.87Å
428	D	58.9	Low	75.4	Confident	92 Å²	92	100.9 Å²	100.9	49%	0.492	53%	0.526	S	S	.	.			trans	-62.5	104.5	167.7	-72.7	-34.9	0	0	0	105.7	N426 A430 N431	N426-D428 PolarHBondContact ND2-OD1 3.29Å; N426-D428 PolarHBondContact ND2-OD2 3.22Å; N426-D428 PolarHBondContact O-N 3Å; D428-A430 PolarHBondContact O-N 3.46Å; D428-N431 PolarHBondContact O-N 2.99Å
429	A	59.4	Low	75.7	Confident	90 Å²	90	98.9 Å²	98.9	74%	0.744	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-10.2	-175.3	0	0	0	0	0	113.2	K427 I435	K427-A429 VanDerWaalsContact C-N 3.32Å; K427-A429 PolarHBondContact O-N 2.87Å; A429-I435 WeakPolarHBondContact O-CD1 3.35Å
430	A	64.8	Low	76.2	Confident	91 Å²	91	99.5 Å²	99.5	75%	0.752	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-17.9	176.1	0	0	0	0	0	114.6	D428 I432	D428-A430 PolarHBondContact O-N 3.46Å; A430-I432 PolarHBondContact O-N 3.47Å
431	N	76.5	Confident	76.8	Confident	79 Å²	79	98.9 Å²	98.9	42%	0.422	52%	0.518	S	S	.	.			trans	-85.9	81.3	179.4	-166.7	-20.1	0	0	0	111	D428 H433 A434 I435	D428-N431 PolarHBondContact O-N 2.99Å; N431-H433 VanDerWaalsContact C-N 3.27Å; N431-H433 PolarHBondContact O-N 3.2Å; N431-H433 PolarHBondContact OD1-N 3.44Å; N431-A434 HydrophobicContact CB-CB 4.13Å; N431-A434 PolarHBondContact O-N 2.99Å; N431-A434 VanDerWaalsContact O-N 3.16Å; N431-A434 PolarHBondContact OD1-N 2.94Å; N431-I435 WeakPolarHBondContact O-CG1 3.31Å; N431-I435 PolarHBondContact O-N 3.48Å; N431-I435 VanDerWaalsContact O-N 3.17Å
432	I	80.6	Confident	77.3	Confident	105 Å²	105	103.9 Å²	103.9	54%	0.538	53%	0.534	S	S	.	.	H	α-helix	trans	-52.8	-43.9	-178.2	-64.3	173.1	0	0	0	111.5	A430 A434 I435 E436	A430-I432 PolarHBondContact O-N 3.47Å; I432-A434 PolarHBondContact O-N 2.69Å; I432-I435 PolarHBondContact O-N 2.93Å; I432-E436 HydrophobicContact CG2-CG 4.24Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.5Å; I432-E436 WeakPolarHBondContact O-CG 3.17Å; I432-E436 PolarHBondContact O-N 3.36Å
433	H	79.5	Confident	77.9	Confident	144 Å²	144	105.8 Å²	105.8	67%	0.667	54%	0.535	S	S	*	.	H	α-helix	trans	-63.4	-40.6	-179.5	-69.2	-53.1	0	0	0	113.3	N431 I435 E436 F437	N431-H433 VanDerWaalsContact C-N 3.27Å; N431-H433 PolarHBondContact O-N 3.2Å; N431-H433 PolarHBondContact OD1-N 3.44Å; H433-I435 VanDerWaalsContact C-N 3.32Å; H433-E436 IonicContact ND1-OE2 2.62Å; H433-E436 PolarHBondContact O-N 2.7Å; H433-F437 VanDerWaalsContact O-CB 3.26Å; H433-F437 WeakPolarHBondContact O-CB 3.38Å; H433-F437 PolarHBondContact O-N 3.28Å
434	A	78.4	Confident	78.6	Confident	22 Å²	22	101.1 Å²	101.1	18%	0.182	51%	0.51	C	S	.	.	H	α-helix	trans	-66	-37.9	176.4	0	0	0	0	0	111.6	N431 I432 E438	N431-A434 HydrophobicContact CB-CB 4.13Å; N431-A434 PolarHBondContact O-N 2.99Å; N431-A434 VanDerWaalsContact O-N 3.16Å; N431-A434 PolarHBondContact OD1-N 2.94Å; I432-A434 PolarHBondContact O-N 2.69Å; A434-E438 PolarHBondContact O-N 3.46Å
435	I	80.9	Confident	79.5	Confident	61 Å²	61	94.2 Å²	94.2	31%	0.313	48%	0.484	S	S	.	.	H	α-helix	trans	-66.8	-44.9	176.7	-64.9	167.5	0	0	0	111	A429 N431 I432 H433 E438 K439	A429-I435 WeakPolarHBondContact O-CD1 3.35Å; N431-I435 WeakPolarHBondContact O-CG1 3.31Å; N431-I435 PolarHBondContact O-N 3.48Å; N431-I435 VanDerWaalsContact O-N 3.17Å; I432-I435 PolarHBondContact O-N 2.93Å; H433-I435 VanDerWaalsContact C-N 3.32Å; I435-E438 PolarHBondContact O-N 3.16Å; I435-K439 HydrophobicContact CG2-CD 4.32Å; I435-K439 WeakPolarHBondContact O-CG 3.29Å; I435-K439 PolarHBondContact O-N 3.45Å
436	E	85.9	Confident	80.8	Confident	104 Å²	104	93.2 Å²	93.2	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-44.8	176.5	-75.1	174.3	172.1	0	0	111.3	I432 H433 E438 K439 E440	I432-E436 HydrophobicContact CG2-CG 4.24Å; I432-E436 WeakPolarHBondContact CG2-OE1 3.5Å; I432-E436 WeakPolarHBondContact O-CG 3.17Å; I432-E436 PolarHBondContact O-N 3.36Å; H433-E436 IonicContact ND1-OE2 2.62Å; H433-E436 PolarHBondContact O-N 2.7Å; E436-E438 PolarHBondContact O-N 3.2Å; E436-K439 WeakPolarHBondContact O-CB 3.45Å; E436-K439 PolarHBondContact O-N 3.01Å; E436-E440 PolarHBondContact O-N 2.82Å
437	F	87.3	Confident	82.7	Confident	36 Å²	36	93.8 Å²	93.8	16%	0.158	48%	0.482	C	S	.	.	H	α-helix	trans	-60.9	-44.2	176.2	-173.5	-89.2	0	0	0	112.2	P414 H420 L421 H433 K439 E440 F441	P414-F437 HydrophobicContact CB-CE2 3.86Å; P414-F437 HydrophobicContact CB-CZ 3.84Å; H420-F437 HydrophobicContact CB-CD1 3.7Å; H420-F437 HydrophobicContact CB-CE1 4.09Å; H420-F437 HydrophobicContact CB-CG 4.3Å; L421-F437 HydrophobicContact CD1-CD1 4.38Å; L421-F437 HydrophobicContact CD1-CE1 3.72Å; L421-F437 HydrophobicContact CD2-CD1 4.06Å; L421-F437 HydrophobicContact CD2-CE1 4.22Å; L421-F437 HydrophobicContact CG-CD1 4.08Å; L421-F437 HydrophobicContact CG-CE1 3.76Å; H433-F437 VanDerWaalsContact O-CB 3.26Å; H433-F437 WeakPolarHBondContact O-CB 3.38Å; H433-F437 PolarHBondContact O-N 3.28Å; F437-K439 VanDerWaalsContact C-N 3.33Å; F437-K439 PolarHBondContact O-N 3.02Å; F437-E440 PolarHBondContact O-N 3.47Å; F437-F441 VanDerWaalsContact O-CB 3.29Å; F437-F441 WeakPolarHBondContact O-CB 3.43Å; F437-F441 PolarHBondContact O-N 3.17Å
438	E	86.3	Confident	84.4	Confident	70 Å²	70	87.1 Å²	87.1	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-60.5	-43	175	-167.8	-159.1	145.3	0	0	111.6	L421 A434 I435 E436 R442	L421-E438 HydrophobicContact CD2-CB 4.11Å; L421-E438 HydrophobicContact CD2-CG 4.04Å; A434-E438 PolarHBondContact O-N 3.46Å; I435-E438 PolarHBondContact O-N 3.16Å; E436-E438 PolarHBondContact O-N 3.2Å; E438-R442 VanDerWaalsContact O-CB 3.26Å; E438-R442 WeakPolarHBondContact O-CB 3.36Å; E438-R442 PolarHBondContact O-N 3.39Å; E438-R442 IonicContact OE1-CZ 2.65Å; E438-R442 IonicContact OE1-NE 3.38Å; E438-R442 IonicContact OE1-NH2 3.2Å; E438-R442 PolarHBondContact OE1-NH2 3.46Å
439	K	88.6	Confident	86.1	Confident	132 Å²	132	87.3 Å²	87.3	57%	0.574	46%	0.455	S	S	*	.	H	α-helix	trans	-61.4	-49	177.8	-75.3	173.2	-179.2	175.9	0	111.2	I435 E436 F437 R442 V443	I435-K439 HydrophobicContact CG2-CD 4.32Å; I435-K439 WeakPolarHBondContact O-CG 3.29Å; I435-K439 PolarHBondContact O-N 3.45Å; E436-K439 WeakPolarHBondContact O-CB 3.45Å; E436-K439 PolarHBondContact O-N 3.01Å; F437-K439 VanDerWaalsContact C-N 3.33Å; F437-K439 PolarHBondContact O-N 3.02Å; K439-R442 PolarHBondContact O-N 2.83Å; K439-V443 WeakPolarHBondContact O-CG2 3.34Å; K439-V443 PolarHBondContact O-N 2.9Å
440	E	90.7	Very high	87.8	Confident	137 Å²	137	89.6 Å²	89.6	64%	0.64	45%	0.448	S	S	*	.	H	α-helix	trans	-61.7	-47.3	179.1	-171.6	179.2	-179	0	0	111.2	E436 F437 R442 V443 Q444	E436-E440 PolarHBondContact O-N 2.82Å; F437-E440 PolarHBondContact O-N 3.47Å; E440-R442 VanDerWaalsContact C-N 3.31Å; E440-R442 PolarHBondContact O-N 3Å; E440-V443 PolarHBondContact O-N 3.38Å; E440-Q444 PolarHBondContact O-N 3.41Å
441	F	92	Very high	89.1	Confident	54 Å²	54	91 Å²	91	24%	0.237	43%	0.434	C	S	.	.	H	α-helix	trans	-58.7	-42.4	177.4	-171.8	-87.6	0	0	0	112.1	L413 P414 L421 F437 T445	L413-F441 HydrophobicContact CD2-CE2 4.16Å; L413-F441 HydrophobicContact CD2-CZ 4.42Å; P414-F441 HydrophobicContact CG-CD2 4.4Å; L421-F441 HydrophobicContact CD1-CB 4.14Å; L421-F441 HydrophobicContact CD1-CD1 3.69Å; L421-F441 HydrophobicContact CD1-CD2 3.48Å; L421-F441 VanDerWaalsContact CD1-CD2 3.48Å; L421-F441 HydrophobicContact CD1-CE1 3.9Å; L421-F441 HydrophobicContact CD1-CE2 3.68Å; L421-F441 HydrophobicContact CD1-CG 3.48Å; L421-F441 VanDerWaalsContact CD1-CG 3.48Å; L421-F441 HydrophobicContact CD1-CZ 3.89Å; F437-F441 VanDerWaalsContact O-CB 3.29Å; F437-F441 WeakPolarHBondContact O-CB 3.43Å; F437-F441 PolarHBondContact O-N 3.17Å; F441-T445 WeakPolarHBondContact O-CB 3.45Å; F441-T445 PolarHBondContact O-N 2.73Å; F441-T445 PolarHBondContact O-OG1 3.22Å
442	R	91.9	Very high	89.8	Confident	142 Å²	142	87.4 Å²	87.4	54%	0.536	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-45	176.4	-178.4	-178.1	-60.6	-79.8	-2.1	111.7	E438 K439 E440 T445 I446	E438-R442 VanDerWaalsContact O-CB 3.26Å; E438-R442 WeakPolarHBondContact O-CB 3.36Å; E438-R442 PolarHBondContact O-N 3.39Å; E438-R442 IonicContact OE1-CZ 2.65Å; E438-R442 IonicContact OE1-NE 3.38Å; E438-R442 IonicContact OE1-NH2 3.2Å; E438-R442 PolarHBondContact OE1-NH2 3.46Å; K439-R442 PolarHBondContact O-N 2.83Å; E440-R442 VanDerWaalsContact C-N 3.31Å; E440-R442 PolarHBondContact O-N 3Å; R442-T445 PolarHBondContact O-N 3.23Å; R442-I446 HydrophobicContact CG-CD1 3.99Å; R442-I446 WeakPolarHBondContact O-CG1 3.31Å; R442-I446 PolarHBondContact O-N 3.18Å
443	V	95	Very high	90.4	Very high	93 Å²	93	85.9 Å²	85.9	56%	0.564	41%	0.41	S	S	*	.	H	α-helix	trans	-60.6	-48.2	177.9	168.6	0	0	0	0	110.3	K439 E440 T445 I446 Q447	K439-V443 WeakPolarHBondContact O-CG2 3.34Å; K439-V443 PolarHBondContact O-N 2.9Å; E440-V443 PolarHBondContact O-N 3.38Å; V443-T445 PolarHBondContact O-N 3.17Å; V443-I446 PolarHBondContact O-N 3.44Å; V443-Q447 WeakPolarHBondContact O-CB 3.4Å; V443-Q447 PolarHBondContact O-N 2.75Å
444	Q	94	Very high	90.9	Very high	65 Å²	65	82.7 Å²	82.7	30%	0.304	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-43	178.8	-167.3	176.6	24.7	0	0	111.7	E440 I446 Q447 L448	E440-Q444 PolarHBondContact O-N 3.41Å; Q444-I446 PolarHBondContact O-N 2.69Å; Q444-Q447 PolarHBondContact O-N 3.47Å; Q444-L448 HydrophobicContact CG-CD1 4.48Å; Q444-L448 WeakPolarHBondContact O-CG 3.49Å; Q444-L448 PolarHBondContact O-N 2.87Å
445	T	94.4	Very high	91.3	Very high	57 Å²	57	82.8 Å²	82.8	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-48	176.5	-58.8	0	0	0	0	111.7	F441 R442 V443 Q447 L448 L449	F441-T445 WeakPolarHBondContact O-CB 3.45Å; F441-T445 PolarHBondContact O-N 2.73Å; F441-T445 PolarHBondContact O-OG1 3.22Å; R442-T445 PolarHBondContact O-N 3.23Å; V443-T445 PolarHBondContact O-N 3.17Å; T445-Q447 VanDerWaalsContact C-N 3.33Å; T445-Q447 PolarHBondContact O-N 3.44Å; T445-L448 PolarHBondContact O-N 3.44Å; T445-L449 HydrophobicContact CG2-CD1 4.36Å; T445-L449 WeakPolarHBondContact O-CG 3.39Å; T445-L449 PolarHBondContact O-N 3.2Å
446	I	96	Very high	91.5	Very high	84 Å²	84	82 Å²	82	43%	0.431	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-40	178.5	-68.4	168.5	0	0	0	110.7	R442 V443 Q444 L449 K450	R442-I446 HydrophobicContact CG-CD1 3.99Å; R442-I446 WeakPolarHBondContact O-CG1 3.31Å; R442-I446 PolarHBondContact O-N 3.18Å; V443-I446 PolarHBondContact O-N 3.44Å; Q444-I446 PolarHBondContact O-N 2.69Å; I446-L449 PolarHBondContact O-N 3.09Å; I446-K450 HydrophobicContact CG2-CD 4.32Å; I446-K450 HydrophobicContact CG2-CG 4.45Å; I446-K450 WeakPolarHBondContact O-CG 3.29Å; I446-K450 PolarHBondContact O-N 2.97Å
447	Q	95.7	Very high	91.5	Very high	131 Å²	131	83.2 Å²	83.2	61%	0.612	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-41.3	178.3	-173	175.4	1.7	0	0	111.9	V443 Q444 T445 K450 R451	V443-Q447 WeakPolarHBondContact O-CB 3.4Å; V443-Q447 PolarHBondContact O-N 2.75Å; Q444-Q447 PolarHBondContact O-N 3.47Å; T445-Q447 VanDerWaalsContact C-N 3.33Å; T445-Q447 PolarHBondContact O-N 3.44Å; Q447-K450 PolarHBondContact O-N 3.46Å; Q447-R451 WeakPolarHBondContact O-CB 3.49Å; Q447-R451 PolarHBondContact O-N 3.39Å
448	L	95.3	Very high	91.4	Very high	41 Å²	41	88.4 Å²	88.4	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-63.1	-43.3	173.3	-74.8	174.4	0	0	0	111.8	E408 F409 Q444 T445 R451 L452	E408-L448 HydrophobicContact CB-CD2 4.3Å; E408-L448 HydrophobicContact CG-CD2 3.68Å; F409-L448 HydrophobicContact CD1-CD2 4.32Å; F409-L448 HydrophobicContact CD2-CD2 4.12Å; F409-L448 HydrophobicContact CE1-CB 4.14Å; F409-L448 HydrophobicContact CE1-CD2 4.17Å; F409-L448 HydrophobicContact CE2-CD2 3.98Å; F409-L448 HydrophobicContact CG-CD2 4.31Å; F409-L448 HydrophobicContact CZ-CB 4.28Å; F409-L448 HydrophobicContact CZ-CD2 4.02Å; F409-L448 VanDerWaalsContact CZ-O 3.29Å; F409-L448 WeakPolarHBondContact CZ-O 3.48Å; Q444-L448 HydrophobicContact CG-CD1 4.48Å; Q444-L448 WeakPolarHBondContact O-CG 3.49Å; Q444-L448 PolarHBondContact O-N 2.87Å; T445-L448 PolarHBondContact O-N 3.44Å; L448-R451 WeakPolarHBondContact O-CB 3.43Å; L448-R451 PolarHBondContact O-N 3.45Å; L448-L452 PolarHBondContact O-N 3.3Å
449	L	94.8	Very high	91	Very high	95 Å²	95	93.9 Å²	93.9	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.7	-70.8	173.7	0	0	0	112.3	T445 I446 R451 L452 V453	T445-L449 HydrophobicContact CG2-CD1 4.36Å; T445-L449 WeakPolarHBondContact O-CG 3.39Å; T445-L449 PolarHBondContact O-N 3.2Å; I446-L449 PolarHBondContact O-N 3.09Å; L449-R451 VanDerWaalsContact C-N 3.29Å; L449-R451 PolarHBondContact O-N 3.11Å; L449-L452 VanDerWaalsContact O-CB 3.31Å; L449-L452 WeakPolarHBondContact O-CB 3.36Å; L449-L452 PolarHBondContact O-N 3.35Å; L449-L452 VanDerWaalsContact O-N 3.17Å; L449-V453 WeakPolarHBondContact O-CG2 3.39Å; L449-V453 PolarHBondContact O-N 3.09Å
450	K	94.4	Very high	90.2	Very high	138 Å²	138	91.4 Å²	91.4	60%	0.6	43%	0.429	S	S	*	.	H	α-helix	trans	-60.5	-41.5	172.7	-74.9	-178.5	176.5	-173.6	0	111.4	I446 Q447 L452 V453 N454	I446-K450 HydrophobicContact CG2-CD 4.32Å; I446-K450 HydrophobicContact CG2-CG 4.45Å; I446-K450 WeakPolarHBondContact O-CG 3.29Å; I446-K450 PolarHBondContact O-N 2.97Å; Q447-K450 PolarHBondContact O-N 3.46Å; K450-L452 VanDerWaalsContact C-N 3.29Å; K450-L452 PolarHBondContact O-N 3.48Å; K450-V453 PolarHBondContact O-N 2.98Å; K450-N454 WeakPolarHBondContact O-CB 3.49Å; K450-N454 VanDerWaalsContact O-CG 3.29Å; K450-N454 PolarHBondContact O-N 2.83Å; K450-N454 PolarHBondContact O-OD1 3.08Å
451	R	93.3	Very high	89.3	Confident	120 Å²	120	87.6 Å²	87.6	45%	0.453	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-38.9	175.5	-170.2	174.7	177.9	94.5	-4.4	111.5	D406 F409 Q447 L448 L449 K455	D406-R451 IonicContact OD1-CZ 3.15Å; D406-R451 IonicContact OD1-NE 2.77Å; D406-R451 IonicContact OD1-NH2 3.67Å; D406-R451 PolarHBondContact OD1-NH2 3.12Å; D406-R451 IonicContact OD2-CZ 2.66Å; D406-R451 IonicContact OD2-NE 3.69Å; D406-R451 PolarHBondContact OD2-NE 3.37Å; D406-R451 IonicContact OD2-NH2 2.65Å; D406-R451 PolarHBondContact OD2-NH2 3.25Å; F409-R451 HydrophobicContact CE2-CB 4.46Å; F409-R451 HydrophobicContact CE2-CG 4.21Å; F409-R451 HydrophobicContact CZ-CB 4.44Å; Q447-R451 WeakPolarHBondContact O-CB 3.49Å; Q447-R451 PolarHBondContact O-N 3.39Å; L448-R451 WeakPolarHBondContact O-CB 3.43Å; L448-R451 PolarHBondContact O-N 3.45Å; L449-R451 VanDerWaalsContact C-N 3.29Å; L449-R451 PolarHBondContact O-N 3.11Å; R451-K455 WeakPolarHBondContact O-CG 3.48Å; R451-K455 PolarHBondContact O-N 3.26Å; R451-K455 VanDerWaalsContact O-N 3.16Å
452	L	91.6	Very high	88.2	Confident	5 Å²	5	85.6 Å²	85.6	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-48.2	173.3	-169.8	67.3	0	0	0	111.6	L395 M398 M399 V402 F409 L448 L449 K450 K455 I456	L395-L452 HydrophobicContact CD2-CD2 4.16Å; M398-L452 HydrophobicContact CB-CD1 4Å; M398-L452 HydrophobicContact CE-CD1 3.74Å; M398-L452 HydrophobicContact CE-CG 4.29Å; M399-L452 HydrophobicContact SD-CD2 4.18Å; V402-L452 HydrophobicContact CB-CD1 4.3Å; V402-L452 HydrophobicContact CG1-CD1 3.53Å; V402-L452 HydrophobicContact CG2-CD1 3.81Å; F409-L452 HydrophobicContact CZ-CB 4.27Å; L448-L452 PolarHBondContact O-N 3.3Å; L449-L452 VanDerWaalsContact O-CB 3.31Å; L449-L452 WeakPolarHBondContact O-CB 3.36Å; L449-L452 PolarHBondContact O-N 3.35Å; L449-L452 VanDerWaalsContact O-N 3.17Å; K450-L452 VanDerWaalsContact C-N 3.29Å; K450-L452 PolarHBondContact O-N 3.48Å; L452-K455 WeakPolarHBondContact O-CB 3.47Å; L452-K455 PolarHBondContact O-N 2.88Å; L452-I456 PolarHBondContact O-N 3.18Å
453	V	91.7	Very high	86.9	Confident	72 Å²	72	82 Å²	82	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-45.8	177.4	173.6	0	0	0	0	111.1	L449 K450 K455 I456 E457	L449-V453 WeakPolarHBondContact O-CG2 3.39Å; L449-V453 PolarHBondContact O-N 3.09Å; K450-V453 PolarHBondContact O-N 2.98Å; V453-K455 PolarHBondContact O-N 2.93Å; V453-I456 WeakPolarHBondContact O-CA 3.32Å; V453-I456 WeakPolarHBondContact O-CB 3.4Å; V453-I456 PolarHBondContact O-N 2.84Å; V453-E457 HydrophobicContact CG1-CG 4.32Å; V453-E457 PolarHBondContact O-N 3.16Å
454	N	90.3	Very high	85.3	Confident	78 Å²	78	78.7 Å²	78.7	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-36.3	177.7	-72.9	3.1	0	0	0	112.3	K450 I456 E457 Q458	K450-N454 WeakPolarHBondContact O-CB 3.49Å; K450-N454 VanDerWaalsContact O-CG 3.29Å; K450-N454 PolarHBondContact O-N 2.83Å; K450-N454 PolarHBondContact O-OD1 3.08Å; N454-I456 VanDerWaalsContact C-N 3.32Å; N454-I456 PolarHBondContact O-N 3.31Å; N454-E457 PolarHBondContact O-N 3.02Å; N454-Q458 WeakPolarHBondContact O-CB 3.09Å; N454-Q458 VanDerWaalsContact O-CG 3.22Å; N454-Q458 WeakPolarHBondContact O-CG 3.29Å; N454-Q458 PolarHBondContact O-N 3.34Å
455	K	86.4	Confident	83.4	Confident	24 Å²	24	84.7 Å²	84.7	10%	0.104	40%	0.4	C	S	.	.	H	α-helix	trans	-65.4	-36.1	174.9	-69.2	176.7	-175.5	-75.7	0	112.2	M398 V402 D406 R451 L452 V453 R459 Q460	M398-K455 HydrophobicContact CE-CB 4.47Å; V402-K455 HydrophobicContact CG1-CD 3.5Å; V402-K455 VanDerWaalsContact CG1-CD 3.5Å; D406-K455 WeakPolarHBondContact OD2-CE 3.44Å; D406-K455 IonicContact OD2-NZ 3.71Å; D406-K455 PolarHBondContact OD2-NZ 2.77Å; R451-K455 WeakPolarHBondContact O-CG 3.48Å; R451-K455 PolarHBondContact O-N 3.26Å; R451-K455 VanDerWaalsContact O-N 3.16Å; L452-K455 WeakPolarHBondContact O-CB 3.47Å; L452-K455 PolarHBondContact O-N 2.88Å; V453-K455 PolarHBondContact O-N 2.93Å; K455-R459 PolarHBondContact O-N 3.37Å; K455-Q460 HydrophobicContact CB-CB 4.35Å; K455-Q460 VanDerWaalsContact CG-OE1 3.23Å; K455-Q460 VanDerWaalsContact O-CB 3.32Å; K455-Q460 WeakPolarHBondContact O-CB 3.27Å; K455-Q460 PolarHBondContact O-N 3.07Å
456	I	85.9	Confident	81.2	Confident	43 Å²	43	87.5 Å²	87.5	22%	0.221	41%	0.407	C	S	.	.	H	α-helix	trans	-66.8	-46.4	173.9	-59.9	172.8	0	0	0	109.9	L394 M398 L452 V453 N454 Q458 R459 L522	L394-I456 HydrophobicContact CD2-CD1 4.45Å; M398-I456 HydrophobicContact CE-CD1 3.98Å; M398-I456 HydrophobicContact CE-CG1 3.36Å; M398-I456 HydrophobicContact CG-CD1 4.17Å; M398-I456 HydrophobicContact CG-CG1 4.41Å; M398-I456 HydrophobicContact SD-CD1 4.21Å; M398-I456 HydrophobicContact SD-CG1 3.79Å; L452-I456 PolarHBondContact O-N 3.18Å; V453-I456 WeakPolarHBondContact O-CA 3.32Å; V453-I456 WeakPolarHBondContact O-CB 3.4Å; V453-I456 PolarHBondContact O-N 2.84Å; N454-I456 VanDerWaalsContact C-N 3.32Å; N454-I456 PolarHBondContact O-N 3.31Å; I456-Q458 VanDerWaalsContact C-N 3.3Å; I456-Q458 PolarHBondContact O-N 3.36Å; I456-R459 WeakPolarHBondContact O-CA 3.41Å; I456-R459 PolarHBondContact O-N 2.92Å; I456-L522 HydrophobicContact CG2-CD1 4.22Å; I456-L522 HydrophobicContact CG2-CD2 4.09Å; I456-L522 HydrophobicContact CG2-CG 4.35Å
457	E	86	Confident	78.2	Confident	130 Å²	130	88.4 Å²	88.4	61%	0.607	42%	0.421	S	S	*	.	H	α-helix	trans	-61.2	-38.6	178.8	-69.8	-177.3	160.3	0	0	112.4	V453 N454 R459	V453-E457 HydrophobicContact CG1-CG 4.32Å; V453-E457 PolarHBondContact O-N 3.16Å; N454-E457 PolarHBondContact O-N 3.02Å; E457-R459 PolarHBondContact O-N 3.29Å; E457-R459 VanDerWaalsContact O-N 3.15Å
458	Q	84.9	Confident	75.1	Confident	146 Å²	146	90.5 Å²	90.5	68%	0.682	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	3.8	174.9	-69.7	175	2.6	0	0	113.4	N454 I456 Q460	N454-Q458 WeakPolarHBondContact O-CB 3.09Å; N454-Q458 VanDerWaalsContact O-CG 3.22Å; N454-Q458 WeakPolarHBondContact O-CG 3.29Å; N454-Q458 PolarHBondContact O-N 3.34Å; I456-Q458 VanDerWaalsContact C-N 3.3Å; I456-Q458 PolarHBondContact O-N 3.36Å; Q458-Q460 PolarHBondContact O-N 3.48Å
459	R	77.2	Confident	71.9	Confident	184 Å²	184	93.9 Å²	93.9	69%	0.694	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	40.4	-176	-59.9	-172.9	178.2	-169.5	-1.1	112.1	K455 I456 E457 T461	K455-R459 PolarHBondContact O-N 3.37Å; I456-R459 WeakPolarHBondContact O-CA 3.41Å; I456-R459 PolarHBondContact O-N 2.92Å; E457-R459 PolarHBondContact O-N 3.29Å; E457-R459 VanDerWaalsContact O-N 3.15Å; R459-T461 PolarHBondContact O-N 3.29Å
460	Q	72.3	Confident	68.6	Low	80 Å²	80	94.5 Å²	94.5	37%	0.374	46%	0.458	S	S	.	.			trans	-66	108.8	-178.9	-163.7	174.8	17.7	0	0	108.9	K455 Q458	K455-Q460 HydrophobicContact CB-CB 4.35Å; K455-Q460 VanDerWaalsContact CG-OE1 3.23Å; K455-Q460 VanDerWaalsContact O-CB 3.32Å; K455-Q460 WeakPolarHBondContact O-CB 3.27Å; K455-Q460 PolarHBondContact O-N 3.07Å; Q458-Q460 PolarHBondContact O-N 3.48Å
461	T	71.8	Confident	65.3	Low	58 Å²	58	93.4 Å²	93.4	36%	0.356	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-80.7	145.9	-178.4	52.5	0	0	0	0	111.5	R459 S518 I519	R459-T461 PolarHBondContact O-N 3.29Å; T461-S518 VanDerWaalsContact CB-OG 3.23Å; T461-S518 WeakPolarHBondContact CB-OG 3.3Å; T461-S518 WeakPolarHBondContact OG1-CB 3.48Å; T461-S518 PolarHBondContact OG1-OG 3.05Å; T461-I519 CarbonylContact C-O 3.51Å; T461-I519 VanDerWaalsContact CA-O 3.3Å; T461-I519 WeakPolarHBondContact CA-O 3.49Å
462	F	69.4	Low	62.1	Low	11 Å²	11	94.7 Å²	94.7	5%	0.048	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.9	177.5	-54.4	-37.9	0	0	0	111.7	I397 M398 N401 I464 S518 I519 P521	I397-F462 HydrophobicContact CG2-CD2 4.37Å; I397-F462 HydrophobicContact CG2-CE2 3.36Å; I397-F462 HydrophobicContact CG2-CZ 3.89Å; M398-F462 HydrophobicContact SD-CE1 4.07Å; M398-F462 HydrophobicContact SD-CZ 3.63Å; N401-F462 HydrophobicContact CB-CD1 3.36Å; N401-F462 HydrophobicContact CB-CE1 3.09Å; N401-F462 HydrophobicContact CB-CG 4.17Å; N401-F462 HydrophobicContact CB-CZ 3.71Å; N401-F462 WeakPolarHBondContact ND2-CD1 3.37Å; N401-F462 WeakPolarHBondContact ND2-CE1 3.04Å; N401-F462 WeakPolarHBondContact OD1-CD1 3.33Å; F462-I464 PolarHBondContact O-N 3.41Å; F462-S518 CarbonylContact O-C 3.52Å; F462-S518 WeakPolarHBondContact O-CA 3.48Å; F462-S518 WeakPolarHBondContact O-CB 3.45Å; F462-I519 HydrophobicContact CD2-CG2 4.19Å; F462-I519 PolarHBondContact N-O 2.96Å; F462-I519 PolarHBondContact O-N 3.46Å; F462-P521 HydrophobicContact CD2-CB 4.28Å; F462-P521 HydrophobicContact CD2-CG 4.36Å; F462-P521 HydrophobicContact CE1-CB 4.28Å; F462-P521 HydrophobicContact CE1-CG 3.83Å; F462-P521 VanDerWaalsContact CE2-CA 3.43Å; F462-P521 HydrophobicContact CE2-CB 3.26Å; F462-P521 HydrophobicContact CE2-CG 3.6Å; F462-P521 HydrophobicContact CZ-CB 3.31Å; F462-P521 HydrophobicContact CZ-CG 3.35Å
463	P	64.9	Low	59.1	Low	66 Å²	66	99.4 Å²	99.4	43%	0.429	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	127.2	174.4	25.7	-31.9	0	0	0	110.1	Q517	P463-Q517 CarbonylContact C-O 3.57Å; P463-Q517 VanDerWaalsContact CA-O 3.24Å; P463-Q517 WeakPolarHBondContact CA-O 3.48Å
464	I	61.3	Low	55.9	Low	25 Å²	25	102.9 Å²	102.9	13%	0.128	53%	0.528	C	S	.	.	S	Bend	trans	-70.3	-40.6	179	-64.8	-160.5	0	0	0	109.4	F462 I516 Q517 I519 L580 P605	F462-I464 PolarHBondContact O-N 3.41Å; I464-I516 WeakPolarHBondContact CD1-O 3.29Å; I464-I516 WeakPolarHBondContact CG1-O 3.26Å; I464-Q517 PolarHBondContact N-O 3.21Å; I464-I519 HydrophobicContact CD1-CB 4.27Å; I464-I519 HydrophobicContact CD1-CD1 4.17Å; I464-I519 HydrophobicContact CG1-CB 4.44Å; I464-L580 HydrophobicContact CD1-CD1 4.28Å; I464-L580 HydrophobicContact CD1-CD2 3.85Å; I464-L580 HydrophobicContact CG1-CD2 4.33Å; I464-P605 HydrophobicContact CB-CG 4.47Å; I464-P605 HydrophobicContact CG2-CB 3.37Å; I464-P605 HydrophobicContact CG2-CG 3.19Å; I464-P605 WeakPolarHBondContact O-CG 2.96Å
465	R	54.6	Low	53.1	Low	190 Å²	190	108 Å²	108	72%	0.717	55%	0.549	S	S	*	.	S	Bend	trans	-120.5	135.9	174.1	-70.9	-178.5	179.6	178.6	-1.5	110.8	S467 P605	R465-S467 PolarHBondContact O-N 2.85Å; R465-S467 VanDerWaalsContact O-N 3.1Å; R465-P605 HydrophobicContact CG-CG 4.29Å
466	K	46.6	Very low	50.4	Low	117 Å²	117	115.7 Å²	115.7	51%	0.509	59%	0.586	S	S	.	*			trans	-69.5	103.9	164.3	-70.4	-174.5	-177.7	178.3	0	107.3	E404 K468	E404-K466 VanDerWaalsContact OE2-CE 3.26Å; E404-K466 WeakPolarHBondContact OE2-CE 3.47Å; E404-K466 IonicContact OE2-NZ 3.52Å; E404-K466 PolarHBondContact OE2-NZ 2.93Å; K466-K468 VanDerWaalsContact C-N 3.28Å; K466-K468 PolarHBondContact O-N 3.48Å
467	S	33.1	Very low	47.5	Very low	102 Å²	102	122.9 Å²	122.9	71%	0.713	62%	0.615	S	S	*	*			trans	-64.6	94	164.1	51.4	0	0	0	0	107.7	R465 T469	R465-S467 PolarHBondContact O-N 2.85Å; R465-S467 VanDerWaalsContact O-N 3.1Å; S467-T469 PolarHBondContact O-N 3.05Å
468	K	32.2	Very low	45	Very low	175 Å²	175	125.8 Å²	125.8	76%	0.761	63%	0.628	S	S	*	*			trans	-71.1	85.4	157	-85.9	-174.2	177.4	178.4	0	106.3	K466 V470	K466-K468 VanDerWaalsContact C-N 3.28Å; K466-K468 PolarHBondContact O-N 3.48Å; K468-V470 PolarHBondContact O-N 2.72Å
469	T	26.6	Very low	42.3	Very low	112 Å²	112	127.7 Å²	127.7	69%	0.687	64%	0.637	S	S	*	*			trans	-69.7	92.2	159.4	-35.5	0	0	0	0	105.4	S467 T471	S467-T469 PolarHBondContact O-N 3.05Å; T469-T471 PolarHBondContact O-N 3.32Å
470	V	25.7	Very low	40	Very low	109 Å²	109	124 Å²	124	66%	0.661	64%	0.64	S	S	*	*			trans	-72.6	92.1	163.3	177.6	0	0	0	0	105.2	K468 L472	K468-V470 PolarHBondContact O-N 2.72Å; V470-L472 VanDerWaalsContact C-N 3.28Å; V470-L472 HydrophobicContact CG1-CG 4.32Å; V470-L472 PolarHBondContact O-N 3.27Å
471	T	25.5	Very low	37.9	Very low	115 Å²	115	124.9 Å²	124.9	71%	0.706	66%	0.655	S	S	*	*			trans	-68.2	96.7	163.1	-22.9	0	0	0	0	106.1	T469 S473	T469-T471 PolarHBondContact O-N 3.32Å; T471-S473 PolarHBondContact O-N 3.39Å
472	L	25.7	Very low	36	Very low	147 Å²	147	131 Å²	131	77%	0.77	68%	0.676	S	S	*	*			trans	-66.3	83.2	160.4	-93.3	145.4	0	0	0	106.9	V470 N474	V470-L472 VanDerWaalsContact C-N 3.28Å; V470-L472 HydrophobicContact CG1-CG 4.32Å; V470-L472 PolarHBondContact O-N 3.27Å; L472-N474 VanDerWaalsContact C-N 3.28Å; L472-N474 PolarHBondContact O-N 2.89Å; L472-N474 VanDerWaalsContact O-N 3.12Å
473	S	28.2	Very low	34.1	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	71%	0.712	S	S	*	*			trans	-79.4	85.1	165.1	60.1	0	0	0	0	108.1	T471 Q475	T471-S473 PolarHBondContact O-N 3.39Å; S473-Q475 PolarHBondContact O-N 3.26Å
474	N	25.3	Very low	32.5	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	72%	0.724	S	S	*	*			trans	-70.5	103.5	149.4	-83.6	-13.8	0	0	0	106.5	L472	L472-N474 VanDerWaalsContact C-N 3.28Å; L472-N474 PolarHBondContact O-N 2.89Å; L472-N474 VanDerWaalsContact O-N 3.12Å
475	Q	31.7	Very low	30.8	Very low	186 Å²	186	148.6 Å²	148.6	87%	0.869	76%	0.763	S	S	*	*			trans	-165.2	110	145.1	-108.1	166.2	3.8	0	0	111.8	S473	S473-Q475 PolarHBondContact O-N 3.26Å
476	E	30	Very low	29.5	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	76%	0.764	S	S	*	*			trans	2.2	135.1	151.5	-67.3	170.2	156.5	0	0	119.9
477	K	25.1	Very low	28.4	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	78%	0.783	S	S	*	*			trans	-54.7	129.1	164.2	-65.2	168.5	177	174.1	0	110.3
478	H	33	Very low	28.1	Very low	191 Å²	191	147.4 Å²	147.4	88%	0.884	78%	0.784	S	S	*	*				-155.6	141.2	129.2	-92.1	-63.9	0	0	0	110.7
479	Q	27.7	Very low	27.8	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	78%	0.779	S	S	*	*			trans	-76.4	141.5	-171.2	-66.4	160.1	-39.2	0	0	112.5
480	S	29.6	Very low	27.7	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	79%	0.788	S	S	*	*				175.2	110.4	119.6	59.5	0	0	0	0	113.4
481	S	28.4	Very low	27.7	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	79%	0.788	S	S	*	*				63.3	124.4	125.1	79.9	0	0	0	0	124.1
482	F	30.6	Very low	27.7	Very low	185 Å²	185	149.8 Å²	149.8	81%	0.811	80%	0.796	S	S	*	*			trans	89.8	98.9	146.6	-72.3	-75	0	0	0	123.1
483	T	29.8	Very low	27.7	Very low	130 Å²	130	151.4 Å²	151.4	80%	0.798	80%	0.797	S	S	*	*			trans	77.7	142.4	137	52.9	0	0	0	0	123.1
484	P	31.8	Very low	27.7	Very low	105 Å²	105	152.1 Å²	152.1	68%	0.682	80%	0.802	S	S	*	*			trans	-120.7	120.1	-156.3	34.2	-14.3	0	0	0	113.5
485	Y	25.2	Very low	27.9	Very low	238 Å²	238	153.3 Å²	153.3	93%	0.933	80%	0.803	S	S	*	*			trans	-157	116.1	158.5	-84.8	-77.7	0	0	0	109.3
486	S	27.1	Very low	27.7	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	80%	0.802	S	S	*	*				177	117.1	129.9	-170.5	0	0	0	0	111	S488	S486-S488 PolarHBondContact O-N 2.99Å
487	L	23.9	Very low	27.7	Very low	170 Å²	170	147.8 Å²	147.8	89%	0.89	80%	0.8	S	S	*	*			trans	-73.4	111.7	166.1	-141.7	88.5	0	0	0	107.2
488	S	27.4	Very low	27.8	Very low	105 Å²	105	142.4 Å²	142.4	73%	0.734	80%	0.799	S	S	*	*			trans	-119.7	102.7	168.7	37.6	0	0	0	0	110.7	S486 L490	S486-S488 PolarHBondContact O-N 2.99Å; S488-L490 PolarHBondContact O-N 3.47Å
489	T	24.7	Very low	27.7	Very low	110 Å²	110	142.4 Å²	142.4	68%	0.675	80%	0.797	S	S	*	*			trans	-63.9	108.7	165.8	-47.1	0	0	0	0	108.8	T491	T489-T491 VanDerWaalsContact C-N 3.27Å; T489-T491 HydrophobicContact CG2-CG2 4.3Å; T489-T491 PolarHBondContact O-N 3.13Å
490	L	25.3	Very low	27.6	Very low	167 Å²	167	143.1 Å²	143.1	87%	0.874	80%	0.8	S	S	*	*			trans	-68.4	89.4	167.1	-92.9	153.6	0	0	0	109	S488	S488-L490 PolarHBondContact O-N 3.47Å
491	T	24.9	Very low	27.6	Very low	105 Å²	105	145.4 Å²	145.4	64%	0.644	80%	0.801	S	S	*	*			trans	-86.6	111	160.3	34.3	0	0	0	0	107.1	T489 K493	T489-T491 VanDerWaalsContact C-N 3.27Å; T489-T491 HydrophobicContact CG2-CG2 4.3Å; T489-T491 PolarHBondContact O-N 3.13Å; T491-K493 VanDerWaalsContact C-N 3.3Å; T491-K493 PolarHBondContact O-N 3.35Å
492	M	26.4	Very low	27.5	Very low	180 Å²	180	149 Å²	149	89%	0.887	81%	0.812	S	S	*	*			trans	-69.9	90	169.1	-72.7	-73.1	-80.8	0	0	108.4
493	K	25.1	Very low	27.4	Very low	180 Å²	180	145.6 Å²	145.6	78%	0.783	81%	0.807	S	S	*	*			trans	-81.1	110.9	159	-84.6	-177.4	174.8	-179.9	0	107.8	T491 E495	T491-K493 VanDerWaalsContact C-N 3.3Å; T491-K493 PolarHBondContact O-N 3.35Å; K493-E495 PolarHBondContact O-N 2.74Å
494	S	29.8	Very low	27.3	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	81%	0.809	S	S	*	*			trans	-75.9	99.9	163.4	55	0	0	0	0	108.6
495	E	28.6	Very low	27.3	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.794	82%	0.818	S	S	*	*			trans	-80.6	120.6	163.1	-80	180	170.3	0	0	109.3	K493 T497	K493-E495 PolarHBondContact O-N 2.74Å; E495-T497 PolarHBondContact O-N 2.93Å
496	S	26.5	Very low	28	Very low	120 Å²	120	147.6 Å²	147.6	84%	0.839	81%	0.813	S	S	*	*			trans	-73	113.2	171.1	54.6	0	0	0	0	109.8
497	T	31.1	Very low	28.6	Very low	134 Å²	134	151.1 Å²	151.1	82%	0.822	82%	0.817	S	S	*	*			trans	-120	130.7	157.2	49	0	0	0	0	108.7	E495	E495-T497 PolarHBondContact O-N 2.93Å
498	G	27.7	Very low	29.8	Very low	81 Å²	81	148.5 Å²	148.5	84%	0.835	81%	0.811	S	S	*	*			trans	-67.2	132	-167.8	0	0	0	0	0	113.4
499	K	30.5	Very low	31.1	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	79%	0.792	S	S	*	*			trans	-149.2	104	141.2	-103.3	172.5	-176.5	178.2	0	106.6	M501	K499-M501 VanDerWaalsContact C-N 3.34Å; K499-M501 PolarHBondContact O-N 3.23Å
500	E	25.5	Very low	32.8	Very low	201 Å²	201	145.3 Å²	145.3	94%	0.939	79%	0.786	S	S	*	*			trans	-61.3	98.1	166.2	-77.1	-178.1	145.3	0	0	108.2
501	M	29.3	Very low	34.7	Very low	154 Å²	154	138 Å²	138	76%	0.759	75%	0.746	S	S	*	*			trans	-108.6	117.2	154.8	-74.1	-158.2	-175	0	0	107.3	K499 T503	K499-M501 VanDerWaalsContact C-N 3.34Å; K499-M501 PolarHBondContact O-N 3.23Å; M501-T503 VanDerWaalsContact C-N 3.27Å; M501-T503 PolarHBondContact O-N 3.42Å; M501-T503 PolarHBondContact O-OG1 2.99Å
502	N	27	Very low	36	Very low	174 Å²	174	138 Å²	138	93%	0.93	74%	0.743	S	S	*	*			trans	-54.9	89.2	171	-76.4	-33.4	0	0	0	110.1
503	T	27.9	Very low	37.2	Very low	114 Å²	114	135.2 Å²	135.2	70%	0.699	73%	0.731	S	S	*	*			trans	-113.4	108.7	163.6	46.6	0	0	0	0	106.2	M501 K505	M501-T503 VanDerWaalsContact C-N 3.27Å; M501-T503 PolarHBondContact O-N 3.42Å; M501-T503 PolarHBondContact O-OG1 2.99Å; T503-K505 PolarHBondContact O-N 3.19Å
504	T	28.8	Very low	38.6	Very low	136 Å²	136	127.3 Å²	127.3	83%	0.834	70%	0.698	S	S	*	*			trans	-43.8	109.1	165	15.3	0	0	0	0	108.1	Q506	T504-Q506 PolarHBondContact O-N 3.26Å
505	K	31.8	Very low	40	Very low	203 Å²	203	125.1 Å²	125.1	88%	0.883	67%	0.673	S	S	*	*			trans	-63	83.2	171	-76.4	-179.6	177.3	175.9	0	108.1	T503 Q507	T503-K505 PolarHBondContact O-N 3.19Å; K505-Q507 PolarHBondContact O-N 3.42Å
506	Q	38.2	Very low	41.4	Very low	176 Å²	176	120.7 Å²	120.7	82%	0.822	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-59	120.7	162.1	-82.4	179.7	-17.2	0	0	106.3	T504	T504-Q506 PolarHBondContact O-N 3.26Å
507	Q	40.7	Very low	42.9	Very low	181 Å²	181	123.2 Å²	123.2	85%	0.846	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-54.1	133.7	170.7	-76.9	-175.3	-20.7	0	0	108	K505 N509	K505-Q507 PolarHBondContact O-N 3.42Å; Q507-N509 PolarHBondContact O-N 2.64Å; Q507-N509 VanDerWaalsContact O-N 3.16Å
508	P	49	Very low	44.7	Very low	115 Å²	115	118.4 Å²	118.4	75%	0.747	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-54.6	127	178.8	21	-30.5	0	0	0	108.5	P510	P508-P510 WeakPolarHBondContact O-CD 3.44Å; P508-P510 VanDerWaalsContact O-N 3.12Å
509	N	54.7	Low	47.1	Very low	65 Å²	65	115.3 Å²	115.3	35%	0.348	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-59.9	120	-177.8	170.3	21.2	0	0	0	107.7	Q507 Y511 D512	Q507-N509 PolarHBondContact O-N 2.64Å; Q507-N509 VanDerWaalsContact O-N 3.16Å; N509-Y511 PolarHBondContact O-N 3.44Å; N509-Y511 WeakPolarHBondContact OD1-CD2 3.39Å; N509-Y511 PolarHBondContact OD1-N 3.24Å; N509-D512 WeakPolarHBondContact CB-OD1 3.38Å; N509-D512 WeakPolarHBondContact CB-OD2 3.38Å; N509-D512 PolarHBondContact ND2-OD1 2.9Å; N509-D512 PolarHBondContact O-N 3.22Å
510	P	60.5	Low	49.6	Very low	83 Å²	83	107.1 Å²	107.1	54%	0.539	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-7.3	-171.9	23.7	-33.4	0	0	0	113.6	P508	P508-P510 WeakPolarHBondContact O-CD 3.44Å; P508-P510 VanDerWaalsContact O-N 3.12Å
511	Y	64	Low	52.5	Low	13 Å²	13	97.6 Å²	97.6	5%	0.051	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-10.6	178.5	-52.7	-79.9	0	0	0	113.8	N509 N513 L514 I636 H640 P655	N509-Y511 PolarHBondContact O-N 3.44Å; N509-Y511 WeakPolarHBondContact OD1-CD2 3.39Å; N509-Y511 PolarHBondContact OD1-N 3.24Å; Y511-N513 PolarHBondContact O-N 2.88Å; Y511-L514 HydrophobicContact CD1-CD1 3.89Å; Y511-L514 WeakPolarHBondContact O-CB 3.44Å; Y511-L514 PolarHBondContact O-N 2.89Å; Y511-I636 HydrophobicContact CD1-CG2 4.15Å; Y511-I636 HydrophobicContact CG-CG2 3.98Å; Y511-H640 HydrophobicContact CE1-CB 3.82Å; Y511-H640 HydrophobicContact CE2-CB 4.44Å; Y511-H640 AromaticContact CE2-ND1 3.39Å; Y511-H640 WeakPolarHBondContact CE2-ND1 3.15Å; Y511-H640 AromaticContact CZ-CG 3.79Å; Y511-H640 AromaticContact CZ-ND1 3.27Å; Y511-H640 VanDerWaalsContact CZ-ND1 3.27Å; Y511-H640 WeakPolarHBondContact OH-CA 3.3Å; Y511-H640 WeakPolarHBondContact OH-CB 3.23Å; Y511-H640 VanDerWaalsContact OH-CG 3.3Å; Y511-H640 PolarHBondContact OH-ND1 3.21Å; Y511-P655 HydrophobicContact CD1-CG 4.39Å; Y511-P655 HydrophobicContact CD2-CB 3.6Å; Y511-P655 HydrophobicContact CD2-CG 3.58Å; Y511-P655 HydrophobicContact CE1-CG 4.37Å; Y511-P655 HydrophobicContact CE2-CB 3.8Å; Y511-P655 HydrophobicContact CE2-CG 3.6Å; Y511-P655 HydrophobicContact CG-CB 4.41Å; Y511-P655 HydrophobicContact CG-CG 4.08Å
512	D	53.5	Low	55.4	Low	105 Å²	105	92.8 Å²	92.8	56%	0.561	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.3	179.8	-70.1	-9	0	0	0	111.5	N509	N509-D512 WeakPolarHBondContact CB-OD1 3.38Å; N509-D512 WeakPolarHBondContact CB-OD2 3.38Å; N509-D512 PolarHBondContact ND2-OD1 2.9Å; N509-D512 PolarHBondContact O-N 3.22Å
513	N	51.3	Low	58.4	Low	122 Å²	122	91.3 Å²	91.3	65%	0.652	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	17	177.2	-69.5	-32.5	0	0	0	113.4	Y511 F515 I516	Y511-N513 PolarHBondContact O-N 2.88Å; N513-F515 CarbonylContact O-C 3.48Å; N513-F515 PolarHBondContact O-N 3.31Å; N513-F515 VanDerWaalsContact O-N 3.08Å; N513-I516 WeakPolarHBondContact O-CA 3.4Å; N513-I516 WeakPolarHBondContact O-CG1 3.36Å; N513-I516 PolarHBondContact O-N 3.41Å; N513-I516 VanDerWaalsContact O-N 3.11Å
514	L	54.1	Low	61.3	Low	15 Å²	15	86.5 Å²	86.5	8%	0.079	44%	0.439	C	S	.	.	S	Bend	trans	-56.2	-33.9	-176.9	-148.1	80.7	0	0	0	112.5	Y511 I516 L578 F607 L635 I636 S639	Y511-L514 HydrophobicContact CD1-CD1 3.89Å; Y511-L514 WeakPolarHBondContact O-CB 3.44Å; Y511-L514 PolarHBondContact O-N 2.89Å; L514-I516 PolarHBondContact O-N 2.98Å; L514-L578 HydrophobicContact CD2-CD2 4.34Å; L514-F607 VanDerWaalsContact O-CZ 3.31Å; L514-F607 WeakPolarHBondContact O-CZ 3.47Å; L514-L635 HydrophobicContact CD2-CB 4.36Å; L514-I636 HydrophobicContact CD2-CG1 4.17Å; L514-S639 WeakPolarHBondContact CD1-OG 3Å
515	F	58.7	Low	64.3	Low	74 Å²	74	80 Å²	80	33%	0.325	40%	0.399	S	S	.	.	S	Bend	trans	-91.4	65.4	173.4	-55	-87.9	0	0	0	108.3	N513 Q517 F607 K632 L635 I636	N513-F515 CarbonylContact O-C 3.48Å; N513-F515 PolarHBondContact O-N 3.31Å; N513-F515 VanDerWaalsContact O-N 3.08Å; F515-Q517 PolarHBondContact O-N 2.96Å; F515-F607 HydrophobicContact CB-CE2 4.27Å; F515-F607 AromaticContact CD1-CD2 3.42Å; F515-F607 HydrophobicContact CD1-CD2 3.42Å; F515-F607 VanDerWaalsContact CD1-CD2 3.42Å; F515-F607 AromaticContact CD1-CE2 3.5Å; F515-F607 HydrophobicContact CD1-CE2 3.5Å; F515-F607 HydrophobicContact CD1-CG 4.47Å; F515-F607 AromaticContact CE1-CD2 3.62Å; F515-F607 HydrophobicContact CE1-CD2 3.62Å; F515-F607 HydrophobicContact CE1-CE2 4.14Å; F515-F607 HydrophobicContact CE1-CG 4.31Å; F515-F607 HydrophobicContact CG-CE2 4.22Å; F515-K632 HydrophobicContact CD2-CD 4.37Å; F515-K632 HydrophobicContact CD2-CG 4.04Å; F515-K632 HydrophobicContact CE1-CG 4.46Å; F515-K632 HydrophobicContact CE2-CB 4.39Å; F515-K632 HydrophobicContact CE2-CD 3.95Å; F515-K632 HydrophobicContact CE2-CG 3.19Å; F515-K632 HydrophobicContact CZ-CB 4.22Å; F515-K632 HydrophobicContact CZ-CG 3.45Å; F515-K632 VanDerWaalsContact CZ-CG 3.45Å; F515-L635 HydrophobicContact CE1-CD1 3.62Å; F515-L635 HydrophobicContact CZ-CB 4.09Å; F515-L635 HydrophobicContact CZ-CD1 3.66Å; F515-L635 HydrophobicContact CZ-CG 4.5Å; F515-I636 HydrophobicContact CE2-CG1 4.47Å
516	I	58.3	Low	67.2	Low	76 Å²	76	73 Å²	73	39%	0.39	37%	0.371	S	S	.	.			trans	-60.2	134.7	-173.9	-40.5	165.5	0	0	0	107.9	I464 N513 L514 S518	I464-I516 WeakPolarHBondContact CD1-O 3.29Å; I464-I516 WeakPolarHBondContact CG1-O 3.26Å; N513-I516 WeakPolarHBondContact O-CA 3.4Å; N513-I516 WeakPolarHBondContact O-CG1 3.36Å; N513-I516 PolarHBondContact O-N 3.41Å; N513-I516 VanDerWaalsContact O-N 3.11Å; L514-I516 PolarHBondContact O-N 2.98Å; I516-S518 VanDerWaalsContact CB-O 3.28Å; I516-S518 WeakPolarHBondContact CB-O 3.3Å; I516-S518 WeakPolarHBondContact CG2-O 3.4Å; I516-S518 PolarHBondContact O-N 3.46Å; I516-S518 VanDerWaalsContact O-N 3.13Å
517	Q	59.4	Low	69.7	Low	173 Å²	173	66 Å²	66	81%	0.808	34%	0.339	S	S	*	.	S	Bend	trans	-64.4	-14.2	170.7	-72.2	-178.2	-4.1	0	0	111.8	P463 I464 F515	P463-Q517 CarbonylContact C-O 3.57Å; P463-Q517 VanDerWaalsContact CA-O 3.24Å; P463-Q517 WeakPolarHBondContact CA-O 3.48Å; I464-Q517 PolarHBondContact N-O 3.21Å; F515-Q517 PolarHBondContact O-N 2.96Å
518	S	68.4	Low	72.1	Confident	33 Å²	33	61.5 Å²	61.5	23%	0.231	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	139	-178.1	66.1	0	0	0	0	113.8	T461 F462 I516	T461-S518 VanDerWaalsContact CB-OG 3.23Å; T461-S518 WeakPolarHBondContact CB-OG 3.3Å; T461-S518 WeakPolarHBondContact OG1-CB 3.48Å; T461-S518 PolarHBondContact OG1-OG 3.05Å; F462-S518 CarbonylContact O-C 3.52Å; F462-S518 WeakPolarHBondContact O-CA 3.48Å; F462-S518 WeakPolarHBondContact O-CB 3.45Å; I516-S518 VanDerWaalsContact CB-O 3.28Å; I516-S518 WeakPolarHBondContact CB-O 3.3Å; I516-S518 WeakPolarHBondContact CG2-O 3.4Å; I516-S518 PolarHBondContact O-N 3.46Å; I516-S518 VanDerWaalsContact O-N 3.13Å
519	I	76.7	Confident	74.2	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.082	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.2	-174.1	-134.4	160.3	0	0	0	112.6	T461 F462 I464 P521 L580	T461-I519 CarbonylContact C-O 3.51Å; T461-I519 VanDerWaalsContact CA-O 3.3Å; T461-I519 WeakPolarHBondContact CA-O 3.49Å; F462-I519 HydrophobicContact CD2-CG2 4.19Å; F462-I519 PolarHBondContact N-O 2.96Å; F462-I519 PolarHBondContact O-N 3.46Å; I464-I519 HydrophobicContact CD1-CB 4.27Å; I464-I519 HydrophobicContact CD1-CD1 4.17Å; I464-I519 HydrophobicContact CG1-CB 4.44Å; I519-P521 WeakPolarHBondContact O-CD 3.37Å; I519-L580 HydrophobicContact CD1-CB 3.88Å; I519-L580 HydrophobicContact CD1-CD2 3.62Å; I519-L580 HydrophobicContact CD1-CG 4.3Å; I519-L580 HydrophobicContact CG2-CD2 4.45Å
520	D	83.8	Confident	75.9	Confident	20 Å²	20	54 Å²	54	11%	0.107	27%	0.27	C	S	.	.			trans	-72.9	122.8	173.4	-169.5	-36.7	0	0	0	109.6	L522 Y523 L524	D520-L522 PolarHBondContact O-N 3.09Å; D520-L522 VanDerWaalsContact O-N 3.14Å; D520-L522 VanDerWaalsContact OD1-CB 3.25Å; D520-L522 WeakPolarHBondContact OD1-CB 3.36Å; D520-L522 WeakPolarHBondContact OD1-CG 3.4Å; D520-L522 PolarHBondContact OD1-N 3.18Å; D520-Y523 HydrophobicContact CB-CD2 3.53Å; D520-Y523 HydrophobicContact CB-CE2 3.75Å; D520-Y523 HydrophobicContact CB-CG 4.09Å; D520-Y523 PolarHBondContact O-N 3.43Å; D520-L524 PolarHBondContact O-N 3.49Å
521	P	86.8	Confident	77.2	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.013	25%	0.25	C	C	.	.	H	α-helix	trans	-49.3	-36.7	174.8	-2.9	-7.7	0	0	0	114.8	L394 I397 M398 F462 I519 Y523 L524 A525	L394-P521 HydrophobicContact CD1-CB 3.76Å; I397-P521 HydrophobicContact CG2-CB 4.33Å; M398-P521 HydrophobicContact CG-CB 4.13Å; M398-P521 HydrophobicContact SD-CB 3.34Å; M398-P521 WeakPolarHBondContact SD-CB 3.28Å; M398-P521 HydrophobicContact SD-CG 3.22Å; M398-P521 WeakPolarHBondContact SD-CG 3.42Å; F462-P521 HydrophobicContact CD2-CB 4.28Å; F462-P521 HydrophobicContact CD2-CG 4.36Å; F462-P521 HydrophobicContact CE1-CB 4.28Å; F462-P521 HydrophobicContact CE1-CG 3.83Å; F462-P521 VanDerWaalsContact CE2-CA 3.43Å; F462-P521 HydrophobicContact CE2-CB 3.26Å; F462-P521 HydrophobicContact CE2-CG 3.6Å; F462-P521 HydrophobicContact CZ-CB 3.31Å; F462-P521 HydrophobicContact CZ-CG 3.35Å; I519-P521 WeakPolarHBondContact O-CD 3.37Å; P521-Y523 PolarHBondContact O-N 3.18Å; P521-L524 PolarHBondContact O-N 2.87Å; P521-A525 PolarHBondContact O-N 2.85Å
522	L	90.5	Very high	78.4	Confident	52 Å²	52	55.3 Å²	55.3	27%	0.272	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-34.9	-176.4	-61.8	179.9	0	0	0	110.9	Y390 L394 I456 D520 I526	Y390-L522 HydrophobicContact CE1-CD2 4.44Å; Y390-L522 WeakPolarHBondContact OH-CA 3.4Å; Y390-L522 VanDerWaalsContact OH-CB 3.28Å; Y390-L522 WeakPolarHBondContact OH-CB 3.35Å; Y390-L522 VanDerWaalsContact OH-CD2 3.27Å; Y390-L522 WeakPolarHBondContact OH-CD2 3.25Å; Y390-L522 PolarHBondContact OH-O 3.3Å; L394-L522 HydrophobicContact CD1-CD2 3.84Å; L394-L522 HydrophobicContact CD2-CD2 3.51Å; L394-L522 HydrophobicContact CG-CD2 4.34Å; I456-L522 HydrophobicContact CG2-CD1 4.22Å; I456-L522 HydrophobicContact CG2-CD2 4.09Å; I456-L522 HydrophobicContact CG2-CG 4.35Å; D520-L522 PolarHBondContact O-N 3.09Å; D520-L522 VanDerWaalsContact O-N 3.14Å; D520-L522 VanDerWaalsContact OD1-CB 3.25Å; D520-L522 WeakPolarHBondContact OD1-CB 3.36Å; D520-L522 WeakPolarHBondContact OD1-CG 3.4Å; D520-L522 PolarHBondContact OD1-N 3.18Å; L522-I526 PolarHBondContact O-N 3.28Å
523	Y	89	Confident	80.1	Confident	143 Å²	143	51 Å²	51	56%	0.561	25%	0.245	S	C	*	.	H	α-helix	trans	-73.9	-40.9	176.6	-58.4	-27.4	0	0	0	111.6	D520 P521 A525 I526 D527	D520-Y523 HydrophobicContact CB-CD2 3.53Å; D520-Y523 HydrophobicContact CB-CE2 3.75Å; D520-Y523 HydrophobicContact CB-CG 4.09Å; D520-Y523 PolarHBondContact O-N 3.43Å; P521-Y523 PolarHBondContact O-N 3.18Å; Y523-A525 VanDerWaalsContact C-N 3.28Å; Y523-A525 PolarHBondContact O-N 2.73Å; Y523-I526 VanDerWaalsContact O-CG2 3.25Å; Y523-I526 WeakPolarHBondContact O-CG2 3.38Å; Y523-I526 PolarHBondContact O-N 3.06Å; Y523-D527 PolarHBondContact O-N 3.45Å
524	L	88.5	Confident	81.8	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-38.3	176.5	-170.2	64.8	0	0	0	111.7	I397 D520 P521 K528 Y582	I397-L524 HydrophobicContact CD1-CB 4.23Å; I397-L524 HydrophobicContact CD1-CD2 4.03Å; I397-L524 HydrophobicContact CD1-CG 3.92Å; I397-L524 HydrophobicContact CG1-CD2 4.27Å; I397-L524 HydrophobicContact CG2-CD2 3.88Å; D520-L524 PolarHBondContact O-N 3.49Å; P521-L524 PolarHBondContact O-N 2.87Å; L524-K528 WeakPolarHBondContact O-CG 3.48Å; L524-K528 PolarHBondContact O-N 3.48Å; L524-K528 VanDerWaalsContact O-N 3.11Å; L524-Y582 HydrophobicContact CD1-CE2 4.32Å; L524-Y582 HydrophobicContact CD2-CE2 4.06Å
525	A	92.9	Very high	83.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-43.1	177	0	0	0	0	0	112.5	Y390 E393 L394 I397 P521 Y523 K528 I529	Y390-A525 HydrophobicContact CD2-CB 4.38Å; Y390-A525 HydrophobicContact CE2-CB 3.76Å; E393-A525 HydrophobicContact CB-CB 4.23Å; L394-A525 HydrophobicContact CB-CB 3.83Å; L394-A525 HydrophobicContact CD1-CB 4.08Å; I397-A525 HydrophobicContact CD1-CB 4.17Å; P521-A525 PolarHBondContact O-N 2.85Å; Y523-A525 VanDerWaalsContact C-N 3.28Å; Y523-A525 PolarHBondContact O-N 2.73Å; A525-K528 PolarHBondContact O-N 2.99Å; A525-I529 PolarHBondContact O-N 2.86Å
526	I	92.3	Very high	84.6	Confident	56 Å²	56	52.2 Å²	52.2	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-69.9	-35.2	178.7	-161.7	64.1	0	0	0	111.7	Y390 L522 Y523 K528 I529 M530	Y390-I526 HydrophobicContact CD2-CD1 4.1Å; Y390-I526 HydrophobicContact CE2-CB 4.06Å; Y390-I526 HydrophobicContact CE2-CD1 4.28Å; L522-I526 PolarHBondContact O-N 3.28Å; Y523-I526 VanDerWaalsContact O-CG2 3.25Å; Y523-I526 WeakPolarHBondContact O-CG2 3.38Å; Y523-I526 PolarHBondContact O-N 3.06Å; I526-K528 VanDerWaalsContact C-N 3.33Å; I526-K528 PolarHBondContact O-N 3.4Å; I526-I529 HydrophobicContact CD1-CD1 4.31Å; I526-I529 PolarHBondContact O-N 3.32Å; I526-M530 WeakPolarHBondContact O-CB 3.37Å; I526-M530 PolarHBondContact O-N 2.88Å
527	D	91.7	Very high	85.9	Confident	28 Å²	28	48.9 Å²	48.9	15%	0.15	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-41	174.8	-78	-14.8	0	0	0	111.2	Y523 I529 M530 L531 M579	Y523-D527 PolarHBondContact O-N 3.45Å; D527-I529 PolarHBondContact O-N 3.42Å; D527-M530 PolarHBondContact O-N 2.82Å; D527-L531 WeakPolarHBondContact O-CB 3.49Å; D527-L531 PolarHBondContact O-N 2.87Å; D527-M579 HydrophobicContact CB-CG 4.1Å; D527-M579 HydrophobicContact CB-SD 4.15Å; D527-M579 WeakPolarHBondContact O-CE 3.35Å
528	K	90.7	Very high	87.1	Confident	87 Å²	87	41.5 Å²	41.5	38%	0.378	19%	0.194	S	C	.	.	H	α-helix	trans	-61.1	-42	174.2	-76.2	-165.2	-177.2	-178.5	0	113.2	E393 I397 L524 A525 I526 L531 K532	E393-K528 HydrophobicContact CG-CB 4.32Å; E393-K528 WeakPolarHBondContact OE2-CD 3.38Å; I397-K528 HydrophobicContact CD1-CD 4Å; L524-K528 WeakPolarHBondContact O-CG 3.48Å; L524-K528 PolarHBondContact O-N 3.48Å; L524-K528 VanDerWaalsContact O-N 3.11Å; A525-K528 PolarHBondContact O-N 2.99Å; I526-K528 VanDerWaalsContact C-N 3.33Å; I526-K528 PolarHBondContact O-N 3.4Å; K528-L531 PolarHBondContact O-N 2.99Å; K528-K532 WeakPolarHBondContact O-CG 3.48Å; K528-K532 PolarHBondContact O-N 2.94Å
529	I	91.9	Very high	88.1	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-46.4	175.9	-67.9	169.4	0	0	0	110.3	Y385 Y390 E393 A525 I526 D527 L531 K532 I533	Y385-I529 HydrophobicContact CD2-CG2 3.93Å; Y385-I529 HydrophobicContact CE2-CG2 3.99Å; Y390-I529 VanDerWaalsContact CA-CD1 3.41Å; Y390-I529 HydrophobicContact CD2-CD1 3.56Å; Y390-I529 HydrophobicContact CG-CD1 4.11Å; E393-I529 HydrophobicContact CG-CG1 3.9Å; A525-I529 PolarHBondContact O-N 2.86Å; I526-I529 HydrophobicContact CD1-CD1 4.31Å; I526-I529 PolarHBondContact O-N 3.32Å; D527-I529 PolarHBondContact O-N 3.42Å; I529-L531 VanDerWaalsContact C-N 3.26Å; I529-L531 PolarHBondContact O-N 3.05Å; I529-K532 WeakPolarHBondContact O-CB 3.39Å; I529-K532 PolarHBondContact O-N 3.05Å; I529-K532 VanDerWaalsContact O-N 3.13Å; I529-I533 HydrophobicContact CG2-CD1 3.9Å; I529-I533 HydrophobicContact CG2-CG1 4.46Å; I529-I533 WeakPolarHBondContact O-CG1 3.33Å; I529-I533 PolarHBondContact O-N 3.2Å
530	M	90.2	Very high	88.7	Confident	9 Å²	9	41.3 Å²	41.3	4%	0.044	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-37.4	-180	-165.9	61.8	62.2	0	0	111.3	I526 D527 K532 I533 M534 R577 M579	I526-M530 WeakPolarHBondContact O-CB 3.37Å; I526-M530 PolarHBondContact O-N 2.88Å; D527-M530 PolarHBondContact O-N 2.82Å; M530-K532 VanDerWaalsContact C-N 3.35Å; M530-K532 PolarHBondContact O-N 2.84Å; M530-I533 WeakPolarHBondContact O-CB 3.24Å; M530-I533 PolarHBondContact O-N 3.11Å; M530-M534 HydrophobicContact CG-SD 4.43Å; M530-M534 WeakPolarHBondContact O-CB 3.26Å; M530-M534 VanDerWaalsContact O-CG 3.26Å; M530-M534 WeakPolarHBondContact O-CG 3.45Å; M530-M534 PolarHBondContact O-N 2.86Å; M530-R577 HydrophobicContact CG-CG 3.94Å; M530-M579 HydrophobicContact CB-CE 4.03Å; M530-M579 HydrophobicContact CG-CE 4.27Å
531	L	89.5	Confident	89.1	Confident	23 Å²	23	42.2 Å²	42.2	12%	0.12	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-41.2	175.6	-173.8	59.1	0	0	0	111.8	D527 K528 I529 M534 R535 M579 Y610 A624	D527-L531 WeakPolarHBondContact O-CB 3.49Å; D527-L531 PolarHBondContact O-N 2.87Å; K528-L531 PolarHBondContact O-N 2.99Å; I529-L531 VanDerWaalsContact C-N 3.26Å; I529-L531 PolarHBondContact O-N 3.05Å; L531-M534 PolarHBondContact O-N 2.92Å; L531-R535 VanDerWaalsContact O-CG 3.25Å; L531-R535 WeakPolarHBondContact O-CG 3.41Å; L531-R535 PolarHBondContact O-N 3Å; L531-R535 VanDerWaalsContact O-N 3.07Å; L531-M579 HydrophobicContact CB-CE 3.98Å; L531-M579 HydrophobicContact CB-SD 3.9Å; L531-M579 HydrophobicContact CD1-SD 4.22Å; L531-M579 HydrophobicContact CD2-SD 4.48Å; L531-M579 HydrophobicContact CG-SD 4.43Å; L531-Y610 HydrophobicContact CD1-CD1 3.55Å; L531-Y610 HydrophobicContact CD1-CD2 4.13Å; L531-Y610 HydrophobicContact CD1-CE1 4.03Å; L531-Y610 HydrophobicContact CD1-CG 3.6Å; L531-A624 WeakPolarHBondContact CD1-O 3.44Å
532	K	89.1	Confident	89.4	Confident	102 Å²	102	43.1 Å²	43.1	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-45.2	174.1	-67.5	179.9	-174.2	-176.1	0	111.6	E393 K528 I529 M530 M534 R535 E536	E393-K532 WeakPolarHBondContact OE1-CE 3.36Å; E393-K532 IonicContact OE1-NZ 3.95Å; E393-K532 PolarHBondContact OE1-NZ 3.17Å; K528-K532 WeakPolarHBondContact O-CG 3.48Å; K528-K532 PolarHBondContact O-N 2.94Å; I529-K532 WeakPolarHBondContact O-CB 3.39Å; I529-K532 PolarHBondContact O-N 3.05Å; I529-K532 VanDerWaalsContact O-N 3.13Å; M530-K532 VanDerWaalsContact C-N 3.35Å; M530-K532 PolarHBondContact O-N 2.84Å; K532-M534 PolarHBondContact O-N 3.43Å; K532-R535 PolarHBondContact O-N 2.88Å; K532-E536 PolarHBondContact O-N 3.25Å
533	I	87.4	Confident	89.4	Confident	15 Å²	15	41.8 Å²	41.8	8%	0.077	20%	0.197	C	C	.	.	H	α-helix	trans	-57.2	-51.1	176	-69.1	170.7	0	0	0	110	N292 Y385 I529 M530 R535 E536 S537	N292-I533 PolarHBondContact ND2-O 2.82Å; N292-I533 VanDerWaalsContact OD1-CG2 3.3Å; N292-I533 WeakPolarHBondContact OD1-CG2 3.45Å; Y385-I533 HydrophobicContact CD2-CD1 3.64Å; Y385-I533 HydrophobicContact CE2-CD1 3.64Å; I529-I533 HydrophobicContact CG2-CD1 3.9Å; I529-I533 HydrophobicContact CG2-CG1 4.46Å; I529-I533 WeakPolarHBondContact O-CG1 3.33Å; I529-I533 PolarHBondContact O-N 3.2Å; M530-I533 WeakPolarHBondContact O-CB 3.24Å; M530-I533 PolarHBondContact O-N 3.11Å; I533-R535 VanDerWaalsContact C-N 3.28Å; I533-R535 PolarHBondContact O-N 3.16Å; I533-E536 CarbonylContact O-C 3.59Å; I533-E536 PolarHBondContact O-N 2.97Å; I533-S537 PolarHBondContact O-N 3.07Å; I533-S537 PolarHBondContact O-OG 3.38Å
534	M	88.7	Confident	89.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-34.8	-179	-73.9	179.5	70.2	0	0	113.4	M530 L531 K532 E536 S537 T574 A575 R577 M579 Y610 H611 N615 A624	M530-M534 HydrophobicContact CG-SD 4.43Å; M530-M534 WeakPolarHBondContact O-CB 3.26Å; M530-M534 VanDerWaalsContact O-CG 3.26Å; M530-M534 WeakPolarHBondContact O-CG 3.45Å; M530-M534 PolarHBondContact O-N 2.86Å; L531-M534 PolarHBondContact O-N 2.92Å; K532-M534 PolarHBondContact O-N 3.43Å; M534-E536 VanDerWaalsContact C-N 3.29Å; M534-S537 PolarHBondContact O-N 2.84Å; M534-T574 WeakPolarHBondContact CG-O 3.15Å; M534-A575 VanDerWaalsContact CE-O 3.29Å; M534-A575 WeakPolarHBondContact CE-O 3.27Å; M534-R577 HydrophobicContact CE-CB 4.41Å; M534-R577 HydrophobicContact CE-CG 4.43Å; M534-R577 HydrophobicContact SD-CB 3.76Å; M534-R577 HydrophobicContact SD-CG 3.45Å; M534-R577 WeakPolarHBondContact SD-CG 3.22Å; M534-M579 HydrophobicContact SD-CE 4.14Å; M534-Y610 WeakPolarHBondContact CE-O 3.11Å; M534-H611 VanDerWaalsContact CE-CA 3.47Å; M534-N615 PolarHBondContact O-ND2 3.47Å; M534-A624 HydrophobicContact CB-CB 4.23Å
535	R	86.1	Confident	89.5	Confident	99 Å²	99	43.3 Å²	43.3	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-67.7	-30.9	176.6	-72.3	169.5	-179.7	-172.7	-3.5	113	L531 K532 I533 A624 N625	L531-R535 VanDerWaalsContact O-CG 3.25Å; L531-R535 WeakPolarHBondContact O-CG 3.41Å; L531-R535 PolarHBondContact O-N 3Å; L531-R535 VanDerWaalsContact O-N 3.07Å; K532-R535 PolarHBondContact O-N 2.88Å; I533-R535 VanDerWaalsContact C-N 3.28Å; I533-R535 PolarHBondContact O-N 3.16Å; R535-A624 HydrophobicContact CG-CB 3.94Å; R535-N625 WeakPolarHBondContact CD-OD1 3.38Å; R535-N625 WeakPolarHBondContact CG-OD1 2.96Å; R535-N625 PolarHBondContact NE-OD1 3.17Å; R535-N625 VanDerWaalsContact NE-OD1 3.11Å
536	E	84.2	Confident	89.5	Confident	137 Å²	137	43.3 Å²	43.3	64%	0.64	21%	0.212	S	C	*	.	H	α-helix	trans	-93.5	-12.9	179.8	-65.8	174.3	-177.7	0	0	112.7	N292 K532 I533 M534	N292-E536 WeakPolarHBondContact ND2-CB 3.21Å; K532-E536 PolarHBondContact O-N 3.25Å; I533-E536 CarbonylContact O-C 3.59Å; I533-E536 PolarHBondContact O-N 2.97Å; M534-E536 VanDerWaalsContact C-N 3.29Å
537	S	85.5	Confident	89.4	Confident	5 Å²	5	43.1 Å²	43.1	4%	0.035	21%	0.211	C	C	.	.	S	Bend	trans	-72	143.1	178	-57.1	0	0	0	0	112.1	Q286 N292 I533 M534 N615	Q286-S537 PolarHBondContact NE2-OG 3.11Å; N292-S537 PolarHBondContact OD1-OG 3.47Å; I533-S537 PolarHBondContact O-N 3.07Å; I533-S537 PolarHBondContact O-OG 3.38Å; M534-S537 PolarHBondContact O-N 2.84Å; S537-N615 VanDerWaalsContact O-CB 3.27Å; S537-N615 WeakPolarHBondContact O-CB 3.43Å; S537-N615 PolarHBondContact O-ND2 3.44Å
538	C	85.2	Confident	89.3	Confident	18 Å²	18	43 Å²	43	12%	0.122	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-67.2	158	162.3	-70.4	0	0	0	0	110.9	R279	R279-C538 HydrophobicContact CG-CB 4.16Å
539	A	88.7	Confident	89.3	Confident	16 Å²	16	39.7 Å²	39.7	13%	0.132	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-53.6	139.4	166.1	0	0	0	0	0	110.9	R279 E541 S612 L613 N615	R279-A539 VanDerWaalsContact CD-O 3.26Å; R279-A539 WeakPolarHBondContact CD-O 3.39Å; A539-E541 PolarHBondContact O-N 3.44Å; A539-S612 WeakPolarHBondContact CA-O 3.44Å; A539-L613 VanDerWaalsContact CB-O 3.29Å; A539-L613 WeakPolarHBondContact CB-O 3.35Å; A539-N615 PolarHBondContact N-O 3.3Å
540	P	90.4	Very high	89.2	Confident	30 Å²	30	39.1 Å²	39.1	20%	0.195	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-65.1	128	178.5	26.7	-31.9	0	0	0	110.2	R572 A575 L613	P540-R572 HydrophobicContact CB-CG 3.76Å; P540-R572 HydrophobicContact CG-CG 4.28Å; P540-A575 HydrophobicContact CG-CB 4.05Å; P540-L613 HydrophobicContact CG-CD2 3.65Å
541	E	92.9	Very high	89.2	Confident	38 Å²	38	40 Å²	40	18%	0.178	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-82.8	135	169.7	-162.5	73.1	-159.5	0	0	109	R276 R279 F280 A539	R276-E541 HydrophobicContact CB-CG 4.24Å; R276-E541 WeakPolarHBondContact CB-OE1 3.48Å; R276-E541 WeakPolarHBondContact CD-OE1 3.42Å; R276-E541 VanDerWaalsContact CG-OE1 3.31Å; R276-E541 WeakPolarHBondContact CG-OE1 3.43Å; R276-E541 IonicContact NE-OE1 3.74Å; R279-E541 HydrophobicContact CB-CB 4.08Å; R279-E541 HydrophobicContact CG-CB 4.17Å; R279-E541 IonicContact CZ-OE2 2.85Å; R279-E541 IonicContact NE-OE2 2.55Å; R279-E541 IonicContact NH1-OE2 2.86Å; R279-E541 PolarHBondContact NH1-OE2 3.19Å; R279-E541 VanDerWaalsContact NH1-OE2 3.07Å; F280-E541 HydrophobicContact CB-CB 3.93Å; F280-E541 HydrophobicContact CB-CG 3.98Å; F280-E541 HydrophobicContact CD2-CB 4.46Å; F280-E541 WeakPolarHBondContact CD2-O 3.39Å; A539-E541 PolarHBondContact O-N 3.44Å
542	L	92.2	Very high	88.8	Confident	22 Å²	22	42.9 Å²	42.9	12%	0.115	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-98.8	147.2	179.8	-58	179.9	0	0	0	110.5	E546 L547 F552 I571	L542-E546 HydrophobicContact CB-CB 3.95Å; L542-E546 HydrophobicContact CD2-CB 4.4Å; L542-L547 HydrophobicContact CB-CD1 4.3Å; L542-L547 HydrophobicContact CD1-CD1 4.12Å; L542-F552 HydrophobicContact CD1-CD2 3.62Å; L542-F552 HydrophobicContact CD1-CE2 4.01Å; L542-I571 HydrophobicContact CD1-CD1 3.73Å; L542-I571 HydrophobicContact CD2-CD1 3.68Å; L542-I571 HydrophobicContact CD2-CG1 3.69Å; L542-I571 HydrophobicContact CG-CD1 4.28Å
543	S	91.3	Very high	88.5	Confident	23 Å²	23	43.4 Å²	43.4	16%	0.161	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-67.6	159.7	165.6	59	0	0	0	0	110.5	D545 E546 L547	S543-D545 PolarHBondContact O-N 2.98Å; S543-E546 PolarHBondContact N-OE2 2.55Å; S543-E546 VanDerWaalsContact N-OE2 3.09Å; S543-E546 PolarHBondContact O-N 3.28Å; S543-E546 VanDerWaalsContact OG-CG 3.25Å; S543-E546 WeakPolarHBondContact OG-CG 3.46Å; S543-E546 PolarHBondContact OG-N 3.25Å; S543-E546 PolarHBondContact OG-OE2 2.79Å; S543-L547 WeakPolarHBondContact O-CB 3.48Å; S543-L547 PolarHBondContact O-N 3.5Å
544	E	88.9	Confident	87.8	Confident	114 Å²	114	44 Å²	44	53%	0.533	21%	0.213	S	C	.	.	H	α-helix	trans	-56.4	-39.1	178.6	-166.9	59.1	-145.7	0	0	112	E546 L547 I548 K553	E544-E546 VanDerWaalsContact C-N 3.34Å; E544-E546 PolarHBondContact O-N 3.25Å; E544-L547 PolarHBondContact O-N 3.35Å; E544-I548 WeakPolarHBondContact O-CG1 3.41Å; E544-I548 WeakPolarHBondContact O-CG2 3.32Å; E544-I548 PolarHBondContact O-N 2.84Å; E544-I548 VanDerWaalsContact O-N 3.09Å; E544-K553 IonicContact OE1-NZ 3.44Å; E544-K553 PolarHBondContact OE1-NZ 3.3Å
545	D	90.4	Very high	86.9	Confident	76 Å²	76	45.4 Å²	45.4	41%	0.406	23%	0.229	S	C	.	.	H	α-helix	trans	-66.6	-31.4	176	-82.6	-36.7	0	0	0	113.6	L167 S543 I548 R549	L167-D545 HydrophobicContact CD2-CB 4.1Å; S543-D545 PolarHBondContact O-N 2.98Å; D545-I548 VanDerWaalsContact O-CG1 3.24Å; D545-I548 WeakPolarHBondContact O-CG1 3.25Å; D545-R549 WeakPolarHBondContact O-CD 3.38Å; D545-R549 VanDerWaalsContact O-CG 3.23Å; D545-R549 WeakPolarHBondContact O-CG 3.38Å; D545-R549 PolarHBondContact O-NE 3.12Å
546	E	92.7	Very high	86.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-77.4	-38.6	173.5	-72.8	174.8	127.9	0	0	111.1	L167 L542 S543 E544 I548 R549 S550 R569 R572 I676	L167-E546 HydrophobicContact CD2-CG 3.51Å; L542-E546 HydrophobicContact CB-CB 3.95Å; L542-E546 HydrophobicContact CD2-CB 4.4Å; S543-E546 PolarHBondContact N-OE2 2.55Å; S543-E546 VanDerWaalsContact N-OE2 3.09Å; S543-E546 PolarHBondContact O-N 3.28Å; S543-E546 VanDerWaalsContact OG-CG 3.25Å; S543-E546 WeakPolarHBondContact OG-CG 3.46Å; S543-E546 PolarHBondContact OG-N 3.25Å; S543-E546 PolarHBondContact OG-OE2 2.79Å; E544-E546 VanDerWaalsContact C-N 3.34Å; E544-E546 PolarHBondContact O-N 3.25Å; E546-I548 PolarHBondContact O-N 3.47Å; E546-R549 CarbonylContact O-C 3.52Å; E546-R549 PolarHBondContact O-N 2.97Å; E546-S550 WeakPolarHBondContact O-CB 3.15Å; E546-S550 PolarHBondContact O-N 3.33Å; E546-R569 IonicContact OE1-NH2 2.6Å; E546-R569 PolarHBondContact OE1-NH2 2.99Å; E546-R569 VanDerWaalsContact OE1-NH2 3.15Å; E546-R572 IonicContact OE1-CZ 2.75Å; E546-R572 IonicContact OE1-NH1 2.73Å; E546-R572 PolarHBondContact OE1-NH1 3.19Å; E546-R572 IonicContact OE1-NH2 3.55Å; E546-R572 PolarHBondContact OE1-NH2 3.21Å; E546-R572 IonicContact OE2-CZ 3.33Å; E546-R572 IonicContact OE2-NH1 3.72Å; E546-R572 IonicContact OE2-NH2 3.89Å; E546-R572 PolarHBondContact OE2-NH2 2.96Å; E546-I676 HydrophobicContact CB-CD1 4.47Å; E546-I676 HydrophobicContact CG-CD1 4.02Å
547	L	90	Very high	85.3	Confident	52 Å²	52	43.5 Å²	43.5	27%	0.272	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-47.9	-178.3	-161	74.5	0	0	0	110.7	L542 S543 E544 R549 S550 F552 K553	L542-L547 HydrophobicContact CB-CD1 4.3Å; L542-L547 HydrophobicContact CD1-CD1 4.12Å; S543-L547 WeakPolarHBondContact O-CB 3.48Å; S543-L547 PolarHBondContact O-N 3.5Å; E544-L547 PolarHBondContact O-N 3.35Å; L547-R549 PolarHBondContact O-N 3.35Å; L547-R549 VanDerWaalsContact O-N 3.1Å; L547-S550 PolarHBondContact O-N 3.06Å; L547-S550 VanDerWaalsContact O-N 3.12Å; L547-S550 PolarHBondContact O-OG 2.93Å; L547-F552 HydrophobicContact CD1-CB 3.84Å; L547-K553 HydrophobicContact CD2-CB 4.49Å; L547-K553 HydrophobicContact CD2-CD 4.1Å; L547-K553 HydrophobicContact CG-CB 4.07Å; L547-K553 HydrophobicContact CG-CD 4.34Å; L547-K553 WeakPolarHBondContact O-CB 3.44Å
548	I	89.8	Confident	84.7	Confident	26 Å²	26	45.6 Å²	45.6	13%	0.133	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.8	175.6	64.7	-174.3	0	0	0	114	E544 D545 E546 K553 Q554 K680	E544-I548 WeakPolarHBondContact O-CG1 3.41Å; E544-I548 WeakPolarHBondContact O-CG2 3.32Å; E544-I548 PolarHBondContact O-N 2.84Å; E544-I548 VanDerWaalsContact O-N 3.09Å; D545-I548 VanDerWaalsContact O-CG1 3.24Å; D545-I548 WeakPolarHBondContact O-CG1 3.25Å; E546-I548 PolarHBondContact O-N 3.47Å; I548-K553 HydrophobicContact CG2-CD 3.64Å; I548-Q554 WeakPolarHBondContact O-CG 3.36Å; I548-Q554 PolarHBondContact O-NE2 2.93Å; I548-K680 HydrophobicContact CD1-CD 3.8Å; I548-K680 HydrophobicContact CD1-CG 4.24Å; I548-K680 HydrophobicContact CG1-CD 4.43Å; I548-K680 HydrophobicContact CG1-CG 4.45Å
549	R	90.9	Very high	84.3	Confident	16 Å²	16	44.8 Å²	44.8	6%	0.06	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	2.3	178.9	-65.7	168.1	-162.1	-83.4	9.7	112.9	D545 E546 L547 I676 T677 E678	D545-R549 WeakPolarHBondContact O-CD 3.38Å; D545-R549 VanDerWaalsContact O-CG 3.23Å; D545-R549 WeakPolarHBondContact O-CG 3.38Å; D545-R549 PolarHBondContact O-NE 3.12Å; E546-R549 CarbonylContact O-C 3.52Å; E546-R549 PolarHBondContact O-N 2.97Å; L547-R549 PolarHBondContact O-N 3.35Å; L547-R549 VanDerWaalsContact O-N 3.1Å; R549-I676 HydrophobicContact CB-CB 4.45Å; R549-T677 WeakPolarHBondContact CB-O 3.42Å; R549-T677 VanDerWaalsContact CD-O 3.31Å; R549-T677 WeakPolarHBondContact CD-O 3.38Å; R549-T677 PolarHBondContact O-N 3.47Å; R549-T677 VanDerWaalsContact O-N 3.13Å; R549-T677 PolarHBondContact O-OG1 2.87Å; R549-E678 VanDerWaalsContact NH1-C 3.35Å; R549-E678 PolarHBondContact NH1-O 3.17Å
550	S	90.1	Very high	83.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-116.1	163.5	-177	74.8	0	0	0	0	110.7	E546 L547 F552 K553 Q554 Y670	E546-S550 WeakPolarHBondContact O-CB 3.15Å; E546-S550 PolarHBondContact O-N 3.33Å; L547-S550 PolarHBondContact O-N 3.06Å; L547-S550 VanDerWaalsContact O-N 3.12Å; L547-S550 PolarHBondContact O-OG 2.93Å; S550-F552 PolarHBondContact O-N 3.39Å; S550-F552 WeakPolarHBondContact OG-CD2 3.49Å; S550-F552 PolarHBondContact OG-N 3.49Å; S550-K553 PolarHBondContact O-N 3.28Å; S550-Q554 WeakPolarHBondContact O-CB 3.49Å; S550-Q554 PolarHBondContact O-N 2.7Å; S550-Y670 VanDerWaalsContact C-OH 3.29Å; S550-Y670 PolarHBondContact O-OH 3.43Å
551	I	89.6	Confident	83.5	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.138	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-28.8	174.7	-173.1	157.5	0	0	0	113	K553 Q554 G555 Y670 K671	I551-K553 PolarHBondContact O-N 3.34Å; I551-Q554 PolarHBondContact O-N 2.96Å; I551-G555 PolarHBondContact O-N 3.26Å; I551-Y670 HydrophobicContact CB-CD1 4.19Å; I551-Y670 HydrophobicContact CB-CE1 3.88Å; I551-Y670 WeakPolarHBondContact CB-O 3.31Å; I551-Y670 HydrophobicContact CG1-CE1 4.4Å; I551-Y670 WeakPolarHBondContact CG2-O 3.45Å; I551-K671 HydrophobicContact CD1-CB 4.41Å; I551-K671 HydrophobicContact CD1-CG 4.48Å
552	F	81.5	Confident	83.4	Confident	84 Å²	84	49.8 Å²	49.8	37%	0.368	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-18.7	-172.9	-55.4	-63.6	0	0	0	114.5	L542 L547 S550 I571	L542-F552 HydrophobicContact CD1-CD2 3.62Å; L542-F552 HydrophobicContact CD1-CE2 4.01Å; L547-F552 HydrophobicContact CD1-CB 3.84Å; S550-F552 PolarHBondContact O-N 3.39Å; S550-F552 WeakPolarHBondContact OG-CD2 3.49Å; S550-F552 PolarHBondContact OG-N 3.49Å; F552-I571 HydrophobicContact CE2-CD1 3.77Å
553	K	81.8	Confident	83.5	Confident	114 Å²	114	52 Å²	52	50%	0.496	28%	0.275	S	S	.	.	H	α-helix	trans	-117.1	-25.9	170.6	-164.6	165.1	178.7	-176.2	0	113.8	E544 L547 I548 S550 I551	E544-K553 IonicContact OE1-NZ 3.44Å; E544-K553 PolarHBondContact OE1-NZ 3.3Å; L547-K553 HydrophobicContact CD2-CB 4.49Å; L547-K553 HydrophobicContact CD2-CD 4.1Å; L547-K553 HydrophobicContact CG-CB 4.07Å; L547-K553 HydrophobicContact CG-CD 4.34Å; L547-K553 WeakPolarHBondContact O-CB 3.44Å; I548-K553 HydrophobicContact CG2-CD 3.64Å; S550-K553 PolarHBondContact O-N 3.28Å; I551-K553 PolarHBondContact O-N 3.34Å
554	Q	72.7	Confident	83.5	Confident	26 Å²	26	53 Å²	53	12%	0.121	28%	0.278	C	S	.	.	H	α-helix	trans	-88.2	-18.2	-174.2	-70	-146	-5.2	0	0	114.5	I548 S550 I551 K558 Y670	I548-Q554 WeakPolarHBondContact O-CG 3.36Å; I548-Q554 PolarHBondContact O-NE2 2.93Å; S550-Q554 WeakPolarHBondContact O-CB 3.49Å; S550-Q554 PolarHBondContact O-N 2.7Å; I551-Q554 PolarHBondContact O-N 2.96Å; Q554-K558 HydrophobicContact CB-CB 4.47Å; Q554-K558 HydrophobicContact CB-CD 4.08Å; Q554-K558 HydrophobicContact CG-CD 4.43Å; Q554-Y670 WeakPolarHBondContact CB-OH 3.37Å; Q554-Y670 PolarHBondContact OE1-OH 3.44Å
555	G	70.8	Confident	83.8	Confident	31 Å²	31	52.8 Å²	52.8	32%	0.32	28%	0.277	S	S	.	.			trans	74.2	172.1	-174.2	0	0	0	0	0	113.2	I551 D557	I551-G555 PolarHBondContact O-N 3.26Å; G555-D557 VanDerWaalsContact C-N 3.32Å; G555-D557 PolarHBondContact O-N 3.22Å
556	S	68.8	Low	84	Confident	61 Å²	61	50.1 Å²	50.1	43%	0.427	26%	0.264	S	S	.	.	S	Bend	trans	-67.4	-31.4	-179.9	44.3	0	0	0	0	113.4	K558 S559	S556-K558 PolarHBondContact O-N 3.2Å; S556-S559 VanDerWaalsContact O-CB 3.31Å; S556-S559 WeakPolarHBondContact O-CB 3.24Å; S556-S559 PolarHBondContact O-N 3.5Å; S556-S559 PolarHBondContact O-OG 3.21Å
557	D	66.8	Low	84.2	Confident	135 Å²	135	53.7 Å²	53.7	72%	0.722	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-70.2	-23.4	-164.2	-52.5	-15.8	0	0	0	112	G555 S559	G555-D557 VanDerWaalsContact C-N 3.32Å; G555-D557 PolarHBondContact O-N 3.22Å; D557-S559 VanDerWaalsContact C-N 3.32Å; D557-S559 PolarHBondContact O-N 3.36Å
558	K	73.7	Confident	84.5	Confident	49 Å²	49	51.2 Å²	51.2	21%	0.213	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-81.3	-9	177.2	-60.2	-164.8	-177.5	-175.1	0	114	Q554 S556 N560 Q561	Q554-K558 HydrophobicContact CB-CB 4.47Å; Q554-K558 HydrophobicContact CB-CD 4.08Å; Q554-K558 HydrophobicContact CG-CD 4.43Å; S556-K558 PolarHBondContact O-N 3.2Å; K558-N560 PolarHBondContact O-N 2.93Å; K558-Q561 WeakPolarHBondContact O-CB 3.48Å; K558-Q561 PolarHBondContact O-N 2.78Å
559	S	76.2	Confident	84.8	Confident	1 Å²	1	50 Å²	50	1%	0.007	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.2	-26.1	177.8	62.8	0	0	0	0	112.7	S556 D557 Q561 L562 K671	S556-S559 VanDerWaalsContact O-CB 3.31Å; S556-S559 WeakPolarHBondContact O-CB 3.24Å; S556-S559 PolarHBondContact O-N 3.5Å; S556-S559 PolarHBondContact O-OG 3.21Å; D557-S559 VanDerWaalsContact C-N 3.32Å; D557-S559 PolarHBondContact O-N 3.36Å; S559-Q561 PolarHBondContact O-N 2.91Å; S559-L562 WeakPolarHBondContact O-CB 3.16Å; S559-L562 WeakPolarHBondContact O-CG 3.25Å; S559-L562 PolarHBondContact O-N 3.14Å; S559-K671 WeakPolarHBondContact OG-CE 3.31Å
560	N	78.2	Confident	85	Confident	128 Å²	128	49.3 Å²	49.3	68%	0.684	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-68.8	-14.5	175.2	-63.5	-6.6	0	0	0	113.5	K558 L562	K558-N560 PolarHBondContact O-N 2.93Å; N560-L562 VanDerWaalsContact C-N 3.27Å
561	Q	84.8	Confident	85.2	Confident	54 Å²	54	49.3 Å²	49.3	25%	0.252	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-81.3	-6.9	175.2	-57.4	-176	13.2	0	0	112.8	K558 S559 T563 M681 H682	K558-Q561 WeakPolarHBondContact O-CB 3.48Å; K558-Q561 PolarHBondContact O-N 2.78Å; S559-Q561 PolarHBondContact O-N 2.91Å; Q561-T563 PolarHBondContact O-N 2.98Å; Q561-M681 HydrophobicContact CB-CE 4.43Å; Q561-M681 HydrophobicContact CB-SD 4.01Å; Q561-H682 PolarHBondContact NE2-O 2.84Å; Q561-H682 PolarHBondContact OE1-O 3.36Å
562	L	91.1	Very high	85.4	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	25%	0.252	C	S	.	.			trans	-66.1	135.7	174.4	-70.2	171.9	0	0	0	109.6	S559 N560 I651 L663 I667 Y670 T677 M681	S559-L562 WeakPolarHBondContact O-CB 3.16Å; S559-L562 WeakPolarHBondContact O-CG 3.25Å; S559-L562 PolarHBondContact O-N 3.14Å; N560-L562 VanDerWaalsContact C-N 3.27Å; L562-I651 HydrophobicContact CB-CD1 4.28Å; L562-I651 HydrophobicContact CD2-CD1 4.24Å; L562-L663 HydrophobicContact CB-CD1 4.05Å; L562-L663 WeakPolarHBondContact O-CD1 3.33Å; L562-I667 HydrophobicContact CB-CG1 4.47Å; L562-I667 HydrophobicContact CD1-CG1 4.11Å; L562-Y670 HydrophobicContact CD1-CG 4.23Å; L562-T677 HydrophobicContact CD2-CG2 3.71Å; L562-M681 HydrophobicContact CD2-CE 4.42Å; L562-M681 HydrophobicContact CD2-SD 3.78Å; L562-M681 HydrophobicContact CG-SD 4.18Å
563	T	93.2	Very high	85.9	Confident	68 Å²	68	45.4 Å²	45.4	42%	0.417	24%	0.242	S	C	.	.			trans	-122.1	165.5	172.9	68.8	0	0	0	0	109.1	Q561 H565 S566 I651	Q561-T563 PolarHBondContact O-N 2.98Å; T563-H565 PolarHBondContact O-N 3.08Å; T563-H565 PolarHBondContact OG1-N 3.33Å; T563-S566 PolarHBondContact N-OG 2.76Å; T563-S566 VanDerWaalsContact N-OG 3.11Å; T563-S566 WeakPolarHBondContact O-CB 3.41Å; T563-S566 PolarHBondContact O-N 2.89Å; T563-S566 PolarHBondContact O-OG 2.93Å; T563-S566 PolarHBondContact OG1-N 2.83Å; T563-S566 PolarHBondContact OG1-OG 2.8Å; T563-I651 WeakPolarHBondContact O-CD1 3.42Å
564	I	92.4	Very high	86.4	Confident	44 Å²	44	40.3 Å²	40.3	23%	0.226	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-17.5	174.7	63.4	167.4	0	0	0	113.3	I651 R652 H659	I564-I651 PolarHBondContact O-N 3.03Å; I564-R652 HydrophobicContact CB-CB 4.21Å; I564-R652 WeakPolarHBondContact O-CB 3.43Å; I564-R652 WeakPolarHBondContact O-CG 3.46Å; I564-R652 PolarHBondContact O-N 3.03Å; I564-H659 HydrophobicContact CG2-CB 4.08Å
565	H	94.3	Very high	87.3	Confident	110 Å²	110	39.1 Å²	39.1	51%	0.509	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-17.4	177.8	-60.1	-59	0	0	0	113.7	T563 K567 R652	T563-H565 PolarHBondContact O-N 3.08Å; T563-H565 PolarHBondContact OG1-N 3.33Å; H565-K567 PolarHBondContact O-N 3.21Å; H565-R652 PolarHBondContact CE1-NH1 3.48Å; H565-R652 VanDerWaalsContact CE1-NH1 3.3Å; H565-R652 PolarHBondContact ND1-NH1 2.99Å
566	S	95	Very high	88.4	Confident	20 Å²	20	37.7 Å²	37.7	14%	0.14	20%	0.2	C	C	.	.			trans	-57.2	133.2	175.3	-60.4	0	0	0	0	109.6	T563 P650 I651	T563-S566 PolarHBondContact N-OG 2.76Å; T563-S566 VanDerWaalsContact N-OG 3.11Å; T563-S566 WeakPolarHBondContact O-CB 3.41Å; T563-S566 PolarHBondContact O-N 2.89Å; T563-S566 PolarHBondContact O-OG 2.93Å; T563-S566 PolarHBondContact OG1-N 2.83Å; T563-S566 PolarHBondContact OG1-OG 2.8Å; S566-P650 WeakPolarHBondContact O-CA 3.39Å; S566-I651 WeakPolarHBondContact O-CG1 3.35Å; S566-I651 PolarHBondContact O-N 2.84Å
567	K	95.9	Very high	89.5	Confident	74 Å²	74	37.8 Å²	37.8	32%	0.322	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.9	176	-50.8	-154	-156.3	98.7	0	111	H565 F648 I649 P650 T677 E678	H565-K567 PolarHBondContact O-N 3.21Å; K567-F648 HydrophobicContact CB-CB 4.05Å; K567-I649 CarbonylContact C-O 3.54Å; K567-I649 VanDerWaalsContact CA-O 3.26Å; K567-I649 WeakPolarHBondContact CA-O 3.41Å; K567-P650 HydrophobicContact CD-CG 4.07Å; K567-P650 HydrophobicContact CG-CG 4.14Å; K567-T677 WeakPolarHBondContact O-CA 3.1Å; K567-E678 HydrophobicContact CB-CB 3.9Å; K567-E678 WeakPolarHBondContact CB-OE2 2.81Å; K567-E678 WeakPolarHBondContact CD-OE2 3.41Å; K567-E678 WeakPolarHBondContact CE-OE2 3.43Å; K567-E678 WeakPolarHBondContact CG-OE2 3.26Å; K567-E678 IonicContact NZ-OE1 3.95Å; K567-E678 PolarHBondContact NZ-OE1 2.82Å; K567-E678 IonicContact NZ-OE2 2.82Å; K567-E678 PolarHBondContact NZ-OE2 2.92Å; K567-E678 PolarHBondContact O-N 3.2Å
568	I	96.4	Very high	90.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.2	-175	59.5	165.4	0	0	0	111.3	L641 F648 I649 I651 L654 A666 I675 I676 T677	I568-L641 HydrophobicContact CD1-CD2 4.16Å; I568-L641 HydrophobicContact CG1-CD2 4.29Å; I568-F648 CarbonylContact O-C 3.58Å; I568-F648 WeakPolarHBondContact O-CA 3.37Å; I568-I649 HydrophobicContact CG1-CG1 4.4Å; I568-I649 PolarHBondContact N-O 3.19Å; I568-I649 PolarHBondContact O-N 3.11Å; I568-I651 HydrophobicContact CD1-CG1 3.86Å; I568-I651 HydrophobicContact CG1-CG1 3.97Å; I568-I651 HydrophobicContact CG2-CD1 4Å; I568-I651 HydrophobicContact CG2-CG1 3.96Å; I568-L654 HydrophobicContact CD1-CD1 4.45Å; I568-A666 HydrophobicContact CD1-CB 4.07Å; I568-I675 HydrophobicContact CB-CD1 4.02Å; I568-I675 HydrophobicContact CD1-CD1 3.74Å; I568-I675 HydrophobicContact CG1-CD1 4.49Å; I568-I675 HydrophobicContact CG2-CD1 3.93Å; I568-I676 WeakPolarHBondContact CA-O 3.47Å; I568-T677 HydrophobicContact CG2-CG2 4.41Å
569	R	96	Very high	91.5	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.7	175.2	-178.2	-173.7	62.1	87.3	-22.5	109.2	L167 E546 I571 Y645 P646 F648 I675 I676	L167-R569 PolarHBondContact O-NH2 3.32Å; E546-R569 IonicContact OE1-NH2 2.6Å; E546-R569 PolarHBondContact OE1-NH2 2.99Å; E546-R569 VanDerWaalsContact OE1-NH2 3.15Å; R569-I571 PolarHBondContact NH1-O 2.9Å; R569-I571 PolarHBondContact O-N 3.24Å; R569-Y645 HydrophobicContact CG-CD2 4.3Å; R569-Y645 VanDerWaalsContact NH1-CE2 3.28Å; R569-P646 WeakPolarHBondContact CD-O 3.36Å; R569-F648 HydrophobicContact CB-CD1 3.56Å; R569-F648 HydrophobicContact CB-CD2 4.4Å; R569-F648 HydrophobicContact CB-CE1 3.63Å; R569-F648 HydrophobicContact CB-CE2 4.47Å; R569-F648 HydrophobicContact CB-CG 3.97Å; R569-F648 HydrophobicContact CB-CZ 4.11Å; R569-I675 CarbonylContact O-C 3.56Å; R569-I675 WeakPolarHBondContact O-CA 3.42Å; R569-I675 WeakPolarHBondContact O-CB 3.45Å; R569-I676 PolarHBondContact N-O 3.08Å; R569-I676 VanDerWaalsContact NH2-CD1 3.35Å; R569-I676 PolarHBondContact O-N 3.03Å
570	L	95.7	Very high	91.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	135.1	168	-168.7	78.7	0	0	0	110.2	R572 I576 L638 L641 I642 Y645 F674	L570-R572 PolarHBondContact O-N 2.84Å; L570-I576 HydrophobicContact CD1-CB 4.26Å; L570-I576 HydrophobicContact CD1-CD1 3.62Å; L570-I576 HydrophobicContact CD1-CG2 4.3Å; L570-I576 HydrophobicContact CG-CD1 4.11Å; L570-L638 HydrophobicContact CD1-CD1 3.84Å; L570-L641 HydrophobicContact CB-CB 4.5Å; L570-I642 HydrophobicContact CD2-CG1 4.07Å; L570-Y645 HydrophobicContact CB-CD2 4.01Å; L570-Y645 WeakPolarHBondContact O-CD2 3.22Å; L570-Y645 WeakPolarHBondContact O-CE2 3.25Å; L570-F674 CarbonylContact C-O 3.47Å; L570-F674 WeakPolarHBondContact CA-O 3.25Å; L570-F674 WeakPolarHBondContact CD1-O 3.49Å
571	I	94.6	Very high	92.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-60.1	-49.6	-173.2	-163.5	164.4	0	0	0	112.2	L542 F552 R569 I576 L613 F674 I676	L542-I571 HydrophobicContact CD1-CD1 3.73Å; L542-I571 HydrophobicContact CD2-CD1 3.68Å; L542-I571 HydrophobicContact CD2-CG1 3.69Å; L542-I571 HydrophobicContact CG-CD1 4.28Å; F552-I571 HydrophobicContact CE2-CD1 3.77Å; R569-I571 PolarHBondContact NH1-O 2.9Å; R569-I571 PolarHBondContact O-N 3.24Å; I571-I576 HydrophobicContact CG2-CD1 3.73Å; I571-L613 HydrophobicContact CG2-CD2 3.76Å; I571-F674 PolarHBondContact N-O 3.14Å; I571-I676 HydrophobicContact CB-CG2 4.41Å; I571-I676 HydrophobicContact CD1-CG2 4.06Å; I571-I676 HydrophobicContact CG1-CG2 3.93Å
572	R	94.3	Very high	91.7	Very high	4 Å²	4	27 Å²	27	2%	0.015	13%	0.134	C	C	.	.			trans	-152.3	134.6	-178	-72.2	-63.6	-179	-88.3	1.6	109.2	E287 P540 E546 L570 A575	E287-R572 VanDerWaalsContact OE1-CB 3.32Å; E287-R572 WeakPolarHBondContact OE1-CB 3.28Å; P540-R572 HydrophobicContact CB-CG 3.76Å; P540-R572 HydrophobicContact CG-CG 4.28Å; E546-R572 IonicContact OE1-CZ 2.75Å; E546-R572 IonicContact OE1-NH1 2.73Å; E546-R572 PolarHBondContact OE1-NH1 3.19Å; E546-R572 IonicContact OE1-NH2 3.55Å; E546-R572 PolarHBondContact OE1-NH2 3.21Å; E546-R572 IonicContact OE2-CZ 3.33Å; E546-R572 IonicContact OE2-NH1 3.72Å; E546-R572 IonicContact OE2-NH2 3.89Å; E546-R572 PolarHBondContact OE2-NH2 2.96Å; L570-R572 PolarHBondContact O-N 2.84Å; R572-A575 HydrophobicContact CB-CB 3.67Å
573	S	91.9	Very high	90.6	Very high	24 Å²	24	29.3 Å²	29.3	17%	0.168	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-23.9	-178.1	67.5	0	0	0	0	113.6	E287 A575 R577 Y645	E287-S573 PolarHBondContact OE1-N 2.77Å; E287-S573 PolarHBondContact OE2-N 2.9Å; E287-S573 PolarHBondContact OE2-OG 2.89Å; S573-A575 VanDerWaalsContact C-N 3.35Å; S573-R577 PolarHBondContact O-NE 3.31Å; S573-Y645 VanDerWaalsContact CB-CD1 3.45Å; S573-Y645 PolarHBondContact N-OH 2.95Å; S573-Y645 VanDerWaalsContact OG-CE1 3.25Å; S573-Y645 WeakPolarHBondContact OG-CE1 3.35Å
574	T	92	Very high	89	Confident	8 Å²	8	32.9 Å²	32.9	5%	0.049	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.2	175.3	66.9	0	0	0	0	112.2	Q286 E287 M534	Q286-T574 HydrophobicContact CG-CG2 4.37Å; Q286-T574 PolarHBondContact NE2-OG1 3.44Å; E287-T574 VanDerWaalsContact OE1-CB 3.28Å; E287-T574 WeakPolarHBondContact OE1-CB 3.44Å; E287-T574 WeakPolarHBondContact OE1-CG2 3.22Å; E287-T574 PolarHBondContact OE1-N 2.87Å; E287-T574 PolarHBondContact OE1-OG1 2.75Å; M534-T574 WeakPolarHBondContact CG-O 3.15Å
575	A	92.3	Very high	87.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-12.5	-175.8	0	0	0	0	0	114.7	M534 P540 R572 S573 H611 S612 L613	M534-A575 VanDerWaalsContact CE-O 3.29Å; M534-A575 WeakPolarHBondContact CE-O 3.27Å; P540-A575 HydrophobicContact CG-CB 4.05Å; R572-A575 HydrophobicContact CB-CB 3.67Å; S573-A575 VanDerWaalsContact C-N 3.35Å; A575-H611 CarbonylContact O-C 3.56Å; A575-H611 WeakPolarHBondContact O-CA 3.49Å; A575-H611 WeakPolarHBondContact O-CB 3.36Å; A575-S612 WeakPolarHBondContact CA-OG 3.1Å; A575-S612 WeakPolarHBondContact CB-OG 3.32Å; A575-S612 PolarHBondContact O-N 2.95Å; A575-L613 HydrophobicContact CB-CD2 3.94Å
576	I	93.8	Very high	85.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.8	-178.8	-57.2	164	0	0	0	108.8	L570 I571 V609 Y610 H611 L613 L638 F674	L570-I576 HydrophobicContact CD1-CB 4.26Å; L570-I576 HydrophobicContact CD1-CD1 3.62Å; L570-I576 HydrophobicContact CD1-CG2 4.3Å; L570-I576 HydrophobicContact CG-CD1 4.11Å; I571-I576 HydrophobicContact CG2-CD1 3.73Å; I576-V609 HydrophobicContact CG2-CG1 4.06Å; I576-Y610 WeakPolarHBondContact CA-O 3.39Å; I576-H611 HydrophobicContact CG1-CB 4.14Å; I576-L613 HydrophobicContact CD1-CD1 4.2Å; I576-L613 HydrophobicContact CG1-CD1 4.36Å; I576-L613 HydrophobicContact CG1-CD2 4.43Å; I576-L613 HydrophobicContact CG1-CG 4.41Å; I576-L638 HydrophobicContact CG2-CD1 4.12Å; I576-L638 HydrophobicContact CG2-CD2 4.41Å; I576-F674 HydrophobicContact CD1-CB 3.73Å; I576-F674 HydrophobicContact CD1-CD1 3.86Å; I576-F674 HydrophobicContact CD1-CG 3.8Å; I576-F674 WeakPolarHBondContact CD1-O 3.22Å; I576-F674 HydrophobicContact CG1-CD1 4.37Å; I576-F674 HydrophobicContact CG2-CD2 4.42Å
577	R	91.5	Very high	83.4	Confident	63 Å²	63	42 Å²	42	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.6	-178.7	-75.6	-69.3	178.8	150.4	-2.8	111.7	M530 M534 S573 M579 V609 Y610	M530-R577 HydrophobicContact CG-CG 3.94Å; M534-R577 HydrophobicContact CE-CB 4.41Å; M534-R577 HydrophobicContact CE-CG 4.43Å; M534-R577 HydrophobicContact SD-CB 3.76Å; M534-R577 HydrophobicContact SD-CG 3.45Å; M534-R577 WeakPolarHBondContact SD-CG 3.22Å; S573-R577 PolarHBondContact O-NE 3.31Å; R577-M579 HydrophobicContact CB-CE 3.39Å; R577-M579 HydrophobicContact CB-CG 4.07Å; R577-M579 HydrophobicContact CB-SD 4.45Å; R577-M579 HydrophobicContact CG-CE 3.71Å; R577-V609 CarbonylContact O-C 3.57Å; R577-V609 WeakPolarHBondContact O-CA 3.25Å; R577-Y610 PolarHBondContact N-O 3.45Å; R577-Y610 PolarHBondContact O-N 2.96Å
578	L	91.6	Very high	81	Confident	26 Å²	26	40.5 Å²	40.5	14%	0.136	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.1	165.5	173.4	58.3	0	0	0	107.8	L514 F607 V609 L635 L638 I642	L514-L578 HydrophobicContact CD2-CD2 4.34Å; L578-F607 HydrophobicContact CD1-CB 4.06Å; L578-F607 HydrophobicContact CD1-CD1 4.32Å; L578-V609 HydrophobicContact CD1-CG2 4.14Å; L578-L635 HydrophobicContact CD1-CD2 3.66Å; L578-L638 HydrophobicContact CB-CD2 4.39Å; L578-I642 HydrophobicContact CB-CD1 4.03Å
579	M	89.8	Confident	78.4	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.7	-176.2	-59.2	-176	179.2	0	0	110.9	D527 M530 L531 M534 R577 F607 M608 Y610	D527-M579 HydrophobicContact CB-CG 4.1Å; D527-M579 HydrophobicContact CB-SD 4.15Å; D527-M579 WeakPolarHBondContact O-CE 3.35Å; M530-M579 HydrophobicContact CB-CE 4.03Å; M530-M579 HydrophobicContact CG-CE 4.27Å; L531-M579 HydrophobicContact CB-CE 3.98Å; L531-M579 HydrophobicContact CB-SD 3.9Å; L531-M579 HydrophobicContact CD1-SD 4.22Å; L531-M579 HydrophobicContact CD2-SD 4.48Å; L531-M579 HydrophobicContact CG-SD 4.43Å; M534-M579 HydrophobicContact SD-CE 4.14Å; R577-M579 HydrophobicContact CB-CE 3.39Å; R577-M579 HydrophobicContact CB-CG 4.07Å; R577-M579 HydrophobicContact CB-SD 4.45Å; R577-M579 HydrophobicContact CG-CE 3.71Å; M579-F607 WeakPolarHBondContact O-CA 3.28Å; M579-M608 PolarHBondContact N-O 2.82Å; M579-M608 PolarHBondContact O-N 2.7Å; M579-Y610 HydrophobicContact CB-CD2 4.15Å; M579-Y610 HydrophobicContact CB-CE2 4.25Å; M579-Y610 HydrophobicContact CG-CD2 4.21Å; M579-Y610 HydrophobicContact SD-CD2 3.93Å; M579-Y610 HydrophobicContact SD-CE2 4.42Å
580	L	85.7	Confident	75.6	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.7	166.6	-176.2	72.7	0	0	0	109.9	I464 I519 Y582 P605 F607	I464-L580 HydrophobicContact CD1-CD1 4.28Å; I464-L580 HydrophobicContact CD1-CD2 3.85Å; I464-L580 HydrophobicContact CG1-CD2 4.33Å; I519-L580 HydrophobicContact CD1-CB 3.88Å; I519-L580 HydrophobicContact CD1-CD2 3.62Å; I519-L580 HydrophobicContact CD1-CG 4.3Å; I519-L580 HydrophobicContact CG2-CD2 4.45Å; L580-Y582 HydrophobicContact CD2-CE2 3.84Å; L580-Y582 WeakPolarHBondContact CD2-OH 3.23Å; L580-Y582 HydrophobicContact CG-CE2 4.26Å; L580-P605 HydrophobicContact CD1-CB 3.94Å; L580-F607 HydrophobicContact CB-CE1 4.39Å; L580-F607 HydrophobicContact CD1-CD1 4.39Å; L580-F607 HydrophobicContact CD1-CD2 4.4Å; L580-F607 HydrophobicContact CD1-CE1 4.23Å; L580-F607 HydrophobicContact CD1-CE2 4.23Å; L580-F607 HydrophobicContact CD1-CG 4.49Å; L580-F607 HydrophobicContact CD1-CZ 4.15Å
581	T	81.5	Confident	72.9	Confident	23 Å²	23	56.8 Å²	56.8	14%	0.141	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.1	178.2	-57.8	0	0	0	0	110.3	F583 P605 S606 M608 Y610	T581-F583 HydrophobicContact CG2-CD2 4.29Å; T581-F583 HydrophobicContact CG2-CE1 4.4Å; T581-F583 HydrophobicContact CG2-CE2 3.7Å; T581-F583 HydrophobicContact CG2-CZ 3.77Å; T581-P605 CarbonylContact O-C 3.37Å; T581-P605 WeakPolarHBondContact O-CA 3.31Å; T581-S606 PolarHBondContact N-O 3.25Å; T581-S606 PolarHBondContact O-N 2.86Å; T581-M608 HydrophobicContact CG2-CG 4.47Å; T581-Y610 WeakPolarHBondContact CG2-OH 3.34Å; T581-Y610 WeakPolarHBondContact OG1-CE2 3.22Å; T581-Y610 PolarHBondContact OG1-OH 2.84Å
582	Y	76.1	Confident	69.9	Low	77 Å²	77	60 Å²	60	30%	0.302	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.1	178.1	-69.2	-89.8	0	0	0	109.4	L524 L580 M603 I604 P605	L524-Y582 HydrophobicContact CD1-CE2 4.32Å; L524-Y582 HydrophobicContact CD2-CE2 4.06Å; L580-Y582 HydrophobicContact CD2-CE2 3.84Å; L580-Y582 WeakPolarHBondContact CD2-OH 3.23Å; L580-Y582 HydrophobicContact CG-CE2 4.26Å; Y582-M603 HydrophobicContact CD1-CB 4.1Å; Y582-I604 WeakPolarHBondContact CA-O 3.43Å; Y582-P605 HydrophobicContact CD1-CB 4.11Å; Y582-P605 HydrophobicContact CE1-CB 3.94Å
583	F	69.7	Low	67.3	Low	54 Å²	54	66.4 Å²	66.4	24%	0.237	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.9	177.8	-67	-87.1	0	0	0	110.6	T581 N585 M603 I604 M608	T581-F583 HydrophobicContact CG2-CD2 4.29Å; T581-F583 HydrophobicContact CG2-CE1 4.4Å; T581-F583 HydrophobicContact CG2-CE2 3.7Å; T581-F583 HydrophobicContact CG2-CZ 3.77Å; F583-N585 PolarHBondContact O-N 3.15Å; F583-M603 CarbonylContact O-C 3.41Å; F583-M603 WeakPolarHBondContact O-CA 3.46Å; F583-I604 PolarHBondContact N-O 3.47Å; F583-I604 PolarHBondContact O-N 2.77Å; F583-M608 HydrophobicContact CE2-CE 4.44Å; F583-M608 HydrophobicContact CE2-CG 3.73Å; F583-M608 HydrophobicContact CE2-SD 3.89Å; F583-M608 HydrophobicContact CZ-CE 3.91Å; F583-M608 HydrophobicContact CZ-CG 3.82Å; F583-M608 HydrophobicContact CZ-SD 3.96Å
584	E	59.7	Low	64.7	Low	144 Å²	144	72.3 Å²	72.3	67%	0.673	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.6	168.8	-72.7	-177.1	168.5	0	0	109.7	K586 M603	E584-K586 PolarHBondContact O-N 3.21Å; E584-M603 HydrophobicContact CG-CE 4.06Å
585	N	56.9	Low	62	Low	39 Å²	39	79.3 Å²	79.3	21%	0.209	42%	0.416	C	S	.	.			trans	-70	103	175.3	-169.4	2.3	0	0	0	110.3	F583 E587 S588 S602 I604	F583-N585 PolarHBondContact O-N 3.15Å; N585-E587 PolarHBondContact O-N 3.24Å; N585-E587 WeakPolarHBondContact OD1-CB 3.38Å; N585-E587 PolarHBondContact OD1-N 2.91Å; N585-S588 PolarHBondContact O-N 3.38Å; N585-S588 PolarHBondContact O-OG 2.91Å; N585-S602 VanDerWaalsContact CB-O 3.25Å; N585-S602 WeakPolarHBondContact CB-O 3.32Å; N585-I604 HydrophobicContact CB-CD1 3.97Å; N585-I604 HydrophobicContact CB-CG1 4.15Å
586	K	54.7	Low	59.3	Low	170 Å²	170	85.4 Å²	85.4	74%	0.739	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.7	179.4	-73	-178.9	-177.4	166.4	0	112.9	E584 S588 N589	E584-K586 PolarHBondContact O-N 3.21Å; K586-S588 PolarHBondContact O-N 3.35Å; K586-N589 PolarHBondContact O-N 2.95Å
587	E	51.7	Low	56.5	Low	157 Å²	157	91.5 Å²	91.5	73%	0.734	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-70.5	-13.9	179.9	-67.1	-178.9	164.5	0	0	113.5	N585 N589 A590	N585-E587 PolarHBondContact O-N 3.24Å; N585-E587 WeakPolarHBondContact OD1-CB 3.38Å; N585-E587 PolarHBondContact OD1-N 2.91Å; E587-N589 PolarHBondContact O-N 3.48Å; E587-N589 VanDerWaalsContact O-N 3.12Å; E587-A590 PolarHBondContact O-N 3.31Å
588	S	45.8	Very low	53.8	Low	42 Å²	42	95.7 Å²	95.7	29%	0.294	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-70.5	-3.4	177.3	59.4	0	0	0	0	115	N585 K586	N585-S588 PolarHBondContact O-N 3.38Å; N585-S588 PolarHBondContact O-OG 2.91Å; K586-S588 PolarHBondContact O-N 3.35Å
589	N	42.3	Very low	51.2	Low	130 Å²	130	101.9 Å²	101.9	70%	0.695	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-96.2	-6.7	177.2	-75.9	-23	0	0	0	114.7	K586 E587	K586-N589 PolarHBondContact O-N 2.95Å; E587-N589 PolarHBondContact O-N 3.48Å; E587-N589 VanDerWaalsContact O-N 3.12Å
590	A	36.4	Very low	49	Very low	73 Å²	73	107.8 Å²	107.8	60%	0.603	57%	0.572	S	S	*	*	S	Bend	trans	-98.6	129.3	173.9	0	0	0	0	0	109.4	E587	E587-A590 PolarHBondContact O-N 3.31Å
591	I	38	Very low	47.1	Very low	141 Å²	141	113.4 Å²	113.4	72%	0.723	60%	0.598	S	S	*	*			trans	83.6	79.1	-177.4	-42.5	168.2	0	0	0	113.5	D593	I591-D593 VanDerWaalsContact C-N 3.33Å; I591-D593 HydrophobicContact CG2-CB 4.42Å; I591-D593 PolarHBondContact O-N 3.26Å
592	A	33.3	Very low	45.9	Very low	67 Å²	67	115.3 Å²	115.3	55%	0.554	61%	0.612	S	S	*	*			trans	-83.2	79.7	159.6	0	0	0	0	0	109.4
593	D	38.1	Very low	45.3	Very low	139 Å²	139	115.3 Å²	115.3	74%	0.743	62%	0.616	S	S	*	*			trans	-82.9	117.8	160.3	-83.6	-21.3	0	0	0	109.2	I591 N595	I591-D593 VanDerWaalsContact C-N 3.33Å; I591-D593 HydrophobicContact CG2-CB 4.42Å; I591-D593 PolarHBondContact O-N 3.26Å; D593-N595 PolarHBondContact O-N 3.18Å
594	N	37.3	Very low	45.2	Very low	148 Å²	148	115.9 Å²	115.9	79%	0.791	62%	0.62	S	S	*	*	S	Bend	trans	-62.5	97	173.2	-69.9	-36.6	0	0	0	108.6
595	N	36.1	Very low	45.9	Very low	155 Å²	155	109.7 Å²	109.7	83%	0.829	59%	0.593	S	S	*	*	S	Bend	trans	156.8	65.1	147.4	-77.6	-25.8	0	0	0	111.9	D593	D593-N595 PolarHBondContact O-N 3.18Å
596	T	36.2	Very low	47.1	Very low	130 Å²	130	109.9 Å²	109.9	80%	0.798	60%	0.597	S	S	*	*			trans	-172.5	110.3	145.8	7.6	0	0	0	0	109.8	N598	T596-N598 PolarHBondContact O-N 2.92Å
597	S	34	Very low	48.6	Very low	128 Å²	128	103.6 Å²	103.6	90%	0.895	57%	0.57	S	S	*	*			trans	-74.9	59.9	177.7	-45.4	0	0	0	0	111.8
598	N	35.5	Very low	50.5	Low	150 Å²	150	96.6 Å²	96.6	80%	0.802	54%	0.537	S	S	*	.			trans	-141.1	58.1	169.2	-98.2	-16.8	0	0	0	109.4	T596 Q600	T596-N598 PolarHBondContact O-N 2.92Å; N598-Q600 PolarHBondContact O-N 2.81Å
599	R	36.3	Very low	52.7	Low	156 Å²	156	94.6 Å²	94.6	59%	0.589	52%	0.523	S	S	*	.			trans	-70.5	85.1	163.6	-77	-172.8	178.9	173	-0.8	108.5	H601	R599-H601 PolarHBondContact O-N 2.87Å; R599-H601 VanDerWaalsContact O-N 3.13Å
600	Q	43.4	Very low	55.1	Low	130 Å²	130	89 Å²	89	61%	0.607	49%	0.493	S	S	*	.			trans	-74.3	97.8	169.7	-139.3	170.2	22.5	0	0	106.5	N598 S602	N598-Q600 PolarHBondContact O-N 2.81Å; Q600-S602 VanDerWaalsContact C-N 3.28Å; Q600-S602 PolarHBondContact O-N 3.13Å
601	H	47.1	Very low	57.8	Low	128 Å²	128	86.3 Å²	86.3	59%	0.593	47%	0.467	S	S	*	.			trans	-58.2	94.1	170.5	-76.3	-77.6	0	0	0	108.4	R599 M603	R599-H601 PolarHBondContact O-N 2.87Å; R599-H601 VanDerWaalsContact O-N 3.13Å; H601-M603 PolarHBondContact O-N 3.38Å
602	S	54.5	Low	60.3	Low	63 Å²	63	79.6 Å²	79.6	44%	0.441	43%	0.433	S	S	.	.			trans	-77.2	108.9	-178.9	66.3	0	0	0	0	108.1	N585 Q600	N585-S602 VanDerWaalsContact CB-O 3.25Å; N585-S602 WeakPolarHBondContact CB-O 3.32Å; Q600-S602 VanDerWaalsContact C-N 3.28Å; Q600-S602 PolarHBondContact O-N 3.13Å
603	M	63.5	Low	62.9	Low	77 Å²	77	77 Å²	77	38%	0.379	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.2	169.1	-76.7	-172.9	161.3	0	0	109.7	Y582 F583 E584 H601 P605	Y582-M603 HydrophobicContact CD1-CB 4.1Å; F583-M603 CarbonylContact O-C 3.41Å; F583-M603 WeakPolarHBondContact O-CA 3.46Å; E584-M603 HydrophobicContact CG-CE 4.06Å; H601-M603 PolarHBondContact O-N 3.38Å; M603-P605 WeakPolarHBondContact O-CD 2.89Å
604	I	67.6	Low	65.1	Low	66 Å²	66	72.5 Å²	72.5	34%	0.338	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.8	176.8	-58.4	172.8	0	0	0	108.1	Y582 F583 N585	Y582-I604 WeakPolarHBondContact CA-O 3.43Å; F583-I604 PolarHBondContact N-O 3.47Å; F583-I604 PolarHBondContact O-N 2.77Å; N585-I604 HydrophobicContact CB-CD1 3.97Å; N585-I604 HydrophobicContact CB-CG1 4.15Å
605	P	75.8	Confident	67.3	Low	15 Å²	15	65.8 Å²	65.8	10%	0.097	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.8	174.3	32.2	-34.8	0	0	0	110.6	I464 R465 L580 T581 Y582 M603	I464-P605 HydrophobicContact CB-CG 4.47Å; I464-P605 HydrophobicContact CG2-CB 3.37Å; I464-P605 HydrophobicContact CG2-CG 3.19Å; I464-P605 WeakPolarHBondContact O-CG 2.96Å; R465-P605 HydrophobicContact CG-CG 4.29Å; L580-P605 HydrophobicContact CD1-CB 3.94Å; T581-P605 CarbonylContact O-C 3.37Å; T581-P605 WeakPolarHBondContact O-CA 3.31Å; Y582-P605 HydrophobicContact CD1-CB 4.11Å; Y582-P605 HydrophobicContact CE1-CB 3.94Å; M603-P605 WeakPolarHBondContact O-CD 2.89Å
606	S	81.4	Confident	68.8	Low	43 Å²	43	65.1 Å²	65.1	30%	0.301	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.9	177.6	-61.7	0	0	0	0	109.9	T581	T581-S606 PolarHBondContact N-O 3.25Å; T581-S606 PolarHBondContact O-N 2.86Å
607	F	87.1	Confident	69.8	Low	37 Å²	37	59.6 Å²	59.6	16%	0.162	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.7	172.4	-74.4	-81.3	0	0	0	109.3	L514 F515 L578 M579 L580 L635	L514-F607 VanDerWaalsContact O-CZ 3.31Å; L514-F607 WeakPolarHBondContact O-CZ 3.47Å; F515-F607 HydrophobicContact CB-CE2 4.27Å; F515-F607 AromaticContact CD1-CD2 3.42Å; F515-F607 HydrophobicContact CD1-CD2 3.42Å; F515-F607 VanDerWaalsContact CD1-CD2 3.42Å; F515-F607 AromaticContact CD1-CE2 3.5Å; F515-F607 HydrophobicContact CD1-CE2 3.5Å; F515-F607 HydrophobicContact CD1-CG 4.47Å; F515-F607 AromaticContact CE1-CD2 3.62Å; F515-F607 HydrophobicContact CE1-CD2 3.62Å; F515-F607 HydrophobicContact CE1-CE2 4.14Å; F515-F607 HydrophobicContact CE1-CG 4.31Å; F515-F607 HydrophobicContact CG-CE2 4.22Å; L578-F607 HydrophobicContact CD1-CB 4.06Å; L578-F607 HydrophobicContact CD1-CD1 4.32Å; M579-F607 WeakPolarHBondContact O-CA 3.28Å; L580-F607 HydrophobicContact CB-CE1 4.39Å; L580-F607 HydrophobicContact CD1-CD1 4.39Å; L580-F607 HydrophobicContact CD1-CD2 4.4Å; L580-F607 HydrophobicContact CD1-CE1 4.23Å; L580-F607 HydrophobicContact CD1-CE2 4.23Å; L580-F607 HydrophobicContact CD1-CG 4.49Å; L580-F607 HydrophobicContact CD1-CZ 4.15Å; F607-L635 HydrophobicContact CB-CD1 3.77Å
608	M	90.2	Very high	70.6	Confident	10 Å²	10	56 Å²	56	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.5	-177.4	-57.6	-57.7	-74.6	0	0	110.2	M579 T581 F583 Y610 G627 G629	M579-M608 PolarHBondContact N-O 2.82Å; M579-M608 PolarHBondContact O-N 2.7Å; T581-M608 HydrophobicContact CG2-CG 4.47Å; F583-M608 HydrophobicContact CE2-CE 4.44Å; F583-M608 HydrophobicContact CE2-CG 3.73Å; F583-M608 HydrophobicContact CE2-SD 3.89Å; F583-M608 HydrophobicContact CZ-CE 3.91Å; F583-M608 HydrophobicContact CZ-CG 3.82Å; F583-M608 HydrophobicContact CZ-SD 3.96Å; M608-Y610 HydrophobicContact CB-CD2 4.38Å; M608-Y610 HydrophobicContact CB-CE2 3.73Å; M608-G627 VanDerWaalsContact CE-O 3.23Å; M608-G627 WeakPolarHBondContact CE-O 3.48Å; M608-G629 VanDerWaalsContact CE-N 3.35Å
609	V	92.4	Very high	71.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117	174	-179.8	0	0	0	0	109.1	I576 R577 L578 I628 F630 L635 L638 F674	I576-V609 HydrophobicContact CG2-CG1 4.06Å; R577-V609 CarbonylContact O-C 3.57Å; R577-V609 WeakPolarHBondContact O-CA 3.25Å; L578-V609 HydrophobicContact CD1-CG2 4.14Å; V609-I628 PolarHBondContact N-O 3.44Å; V609-I628 PolarHBondContact O-N 3.43Å; V609-F630 HydrophobicContact CB-CD2 3.86Å; V609-F630 HydrophobicContact CB-CE2 3.77Å; V609-F630 HydrophobicContact CG1-CE2 4.22Å; V609-F630 HydrophobicContact CG2-CD2 3.46Å; V609-F630 VanDerWaalsContact CG2-CD2 3.46Å; V609-F630 HydrophobicContact CG2-CE2 3.82Å; V609-L635 HydrophobicContact CG2-CD2 3.99Å; V609-L638 HydrophobicContact CB-CD2 4.24Å; V609-L638 HydrophobicContact CG1-CD2 3.7Å; V609-L638 HydrophobicContact CG2-CD2 3.42Å; V609-L638 VanDerWaalsContact CG2-CD2 3.42Å; V609-F674 HydrophobicContact CG1-CE2 3.82Å; V609-F674 HydrophobicContact CG1-CZ 4.1Å
610	Y	92.7	Very high	71.6	Confident	14 Å²	14	51.7 Å²	51.7	6%	0.055	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.7	172.9	-66.6	-87.8	0	0	0	109.6	L531 M534 I576 R577 M579 T581 M608 A624 G627	L531-Y610 HydrophobicContact CD1-CD1 3.55Å; L531-Y610 HydrophobicContact CD1-CD2 4.13Å; L531-Y610 HydrophobicContact CD1-CE1 4.03Å; L531-Y610 HydrophobicContact CD1-CG 3.6Å; M534-Y610 WeakPolarHBondContact CE-O 3.11Å; I576-Y610 WeakPolarHBondContact CA-O 3.39Å; R577-Y610 PolarHBondContact N-O 3.45Å; R577-Y610 PolarHBondContact O-N 2.96Å; M579-Y610 HydrophobicContact CB-CD2 4.15Å; M579-Y610 HydrophobicContact CB-CE2 4.25Å; M579-Y610 HydrophobicContact CG-CD2 4.21Å; M579-Y610 HydrophobicContact SD-CD2 3.93Å; M579-Y610 HydrophobicContact SD-CE2 4.42Å; T581-Y610 WeakPolarHBondContact CG2-OH 3.34Å; T581-Y610 WeakPolarHBondContact OG1-CE2 3.22Å; T581-Y610 PolarHBondContact OG1-OH 2.84Å; M608-Y610 HydrophobicContact CB-CD2 4.38Å; M608-Y610 HydrophobicContact CB-CE2 3.73Å; Y610-A624 VanDerWaalsContact CD1-O 3.31Å; Y610-A624 WeakPolarHBondContact CD1-O 3.39Å; Y610-G627 VanDerWaalsContact CE1-CA 3.45Å; Y610-G627 VanDerWaalsContact CE1-N 3.28Å
611	H	92.3	Very high	71.7	Confident	15 Å²	15	51.5 Å²	51.5	7%	0.069	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.9	175.4	70.9	93.8	0	0	0	113	M534 A575 I576 L613 A624 F674	M534-H611 VanDerWaalsContact CE-CA 3.47Å; A575-H611 CarbonylContact O-C 3.56Å; A575-H611 WeakPolarHBondContact O-CA 3.49Å; A575-H611 WeakPolarHBondContact O-CB 3.36Å; I576-H611 HydrophobicContact CG1-CB 4.14Å; H611-L613 HydrophobicContact CB-CG 4.28Å; H611-A624 WeakPolarHBondContact O-CA 3.33Å; H611-A624 PolarHBondContact O-N 3.19Å; H611-F674 HydrophobicContact CB-CE1 4.2Å; H611-F674 HydrophobicContact CB-CZ 4.49Å; H611-F674 AromaticContact CG-CE1 3.95Å
612	S	90.7	Very high	72	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.007	25%	0.252	C	S	.	.			trans	-106.2	10.5	176.3	60.2	0	0	0	0	113.6	A539 A575 N614 N615	A539-S612 WeakPolarHBondContact CA-O 3.44Å; A575-S612 WeakPolarHBondContact CA-OG 3.1Å; A575-S612 WeakPolarHBondContact CB-OG 3.32Å; A575-S612 PolarHBondContact O-N 2.95Å; S612-N614 PolarHBondContact O-N 3.48Å; S612-N615 WeakPolarHBondContact CA-OD1 3.34Å; S612-N615 VanDerWaalsContact CB-ND2 3.33Å; S612-N615 WeakPolarHBondContact CB-ND2 3.39Å; S612-N615 WeakPolarHBondContact O-CB 3.44Å; S612-N615 PolarHBondContact O-N 2.97Å
613	L	88.6	Confident	72.1	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.063	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-27.1	-174.7	-58.5	-179.3	0	0	0	114.7	A539 P540 I571 A575 I576 H611 G673 F674	A539-L613 VanDerWaalsContact CB-O 3.29Å; A539-L613 WeakPolarHBondContact CB-O 3.35Å; P540-L613 HydrophobicContact CG-CD2 3.65Å; I571-L613 HydrophobicContact CG2-CD2 3.76Å; A575-L613 HydrophobicContact CB-CD2 3.94Å; I576-L613 HydrophobicContact CD1-CD1 4.2Å; I576-L613 HydrophobicContact CG1-CD1 4.36Å; I576-L613 HydrophobicContact CG1-CD2 4.43Å; I576-L613 HydrophobicContact CG1-CG 4.41Å; H611-L613 HydrophobicContact CB-CG 4.28Å; L613-G673 WeakPolarHBondContact CD1-O 3.46Å; L613-F674 HydrophobicContact CD1-CD1 3.51Å; L613-F674 HydrophobicContact CD1-CE1 3.86Å
614	N	84.4	Confident	71.7	Confident	45 Å²	45	42.4 Å²	42.4	24%	0.241	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	16.3	-177.9	-61	-9.6	0	0	0	112.2	S612 Q616	S612-N614 PolarHBondContact O-N 3.48Å; N614-Q616 PolarHBondContact O-N 3.41Å; N614-Q616 VanDerWaalsContact O-N 3.1Å
615	N	83.1	Confident	71.5	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.231	C	C	.	.			trans	-64.1	116.5	179.9	-78.2	11.5	0	0	0	110.3	M534 S537 A539 S612 G617 S622	M534-N615 PolarHBondContact O-ND2 3.47Å; S537-N615 VanDerWaalsContact O-CB 3.27Å; S537-N615 WeakPolarHBondContact O-CB 3.43Å; S537-N615 PolarHBondContact O-ND2 3.44Å; A539-N615 PolarHBondContact N-O 3.3Å; S612-N615 WeakPolarHBondContact CA-OD1 3.34Å; S612-N615 VanDerWaalsContact CB-ND2 3.33Å; S612-N615 WeakPolarHBondContact CB-ND2 3.39Å; S612-N615 WeakPolarHBondContact O-CB 3.44Å; S612-N615 PolarHBondContact O-N 2.97Å; N615-G617 PolarHBondContact O-N 3.31Å; N615-S622 WeakPolarHBondContact OD1-CB 3.43Å
616	Q	67.4	Low	71.5	Confident	140 Å²	140	46.3 Å²	46.3	65%	0.654	26%	0.255	S	S	*	.			trans	-72	118.3	168.8	-61.8	-63.8	-22.8	0	0	107.4	N614 N618 N619	N614-Q616 PolarHBondContact O-N 3.41Å; N614-Q616 VanDerWaalsContact O-N 3.1Å; Q616-N618 PolarHBondContact O-N 2.99Å; Q616-N619 PolarHBondContact O-N 3Å
617	G	57.9	Low	71.6	Confident	15 Å²	15	45 Å²	45	16%	0.155	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	1.8	-170.6	0	0	0	0	0	116.2	N270 T273 N615	N270-G617 PolarHBondContact ND2-O 3.43Å; T273-G617 PolarHBondContact OG1-O 3.41Å; N615-G617 PolarHBondContact O-N 3.31Å
618	N	51.5	Low	71.7	Confident	52 Å²	52	45.1 Å²	45.1	28%	0.278	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	0.2	-176.6	-64.4	-14.1	0	0	0	114.7	Q230 H231 T273 F274 Q616	Q230-N618 PolarHBondContact NE2-O 3.27Å; H231-N618 PolarHBondContact NE2-ND2 2.93Å; T273-N618 WeakPolarHBondContact CB-OD1 3.34Å; T273-N618 WeakPolarHBondContact CG2-OD1 3.43Å; T273-N618 PolarHBondContact OG1-OD1 2.84Å; F274-N618 WeakPolarHBondContact CZ-ND2 3.35Å; Q616-N618 PolarHBondContact O-N 2.99Å
619	N	47.7	Very low	71.5	Confident	94 Å²	94	45.4 Å²	45.4	50%	0.503	26%	0.256	S	S	.	.			trans	-128.2	138.2	-174.3	-85.8	-10.2	0	0	0	113.9	Q616 D621	Q616-N619 PolarHBondContact O-N 3Å; N619-D621 HydrophobicContact CB-CB 4.47Å; N619-D621 PolarHBondContact O-N 3.5Å
620	T	44.6	Very low	71.4	Confident	121 Å²	121	47.3 Å²	47.3	74%	0.742	26%	0.264	S	S	*	.	S	Bend	trans	-60.6	-16	167.8	45.3	0	0	0	0	113.4	S622 N625	T620-S622 PolarHBondContact O-N 3.27Å; T620-N625 PolarHBondContact O-ND2 3.24Å
621	D	45.4	Very low	71.2	Confident	127 Å²	127	52.1 Å²	52.1	68%	0.679	29%	0.287	S	S	*	.			trans	-81.6	50	177	-61	-16.2	0	0	0	111.2	N619	N619-D621 HydrophobicContact CB-CB 4.47Å; N619-D621 PolarHBondContact O-N 3.5Å
622	S	53	Low	71	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.035	31%	0.306	C	S	.	.			trans	-69.5	138.3	173.8	74.5	0	0	0	0	110.1	N615 T620 A624 N625	N615-S622 WeakPolarHBondContact OD1-CB 3.43Å; T620-S622 PolarHBondContact O-N 3.27Å; S622-A624 PolarHBondContact O-N 3.16Å; S622-A624 VanDerWaalsContact O-N 3.17Å; S622-N625 VanDerWaalsContact O-CB 3.24Å; S622-N625 WeakPolarHBondContact O-CB 3.49Å; S622-N625 PolarHBondContact O-N 2.85Å; S622-N625 PolarHBondContact O-ND2 3.24Å
623	N	56.1	Low	71	Confident	72 Å²	72	60.3 Å²	60.3	39%	0.385	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.5	169.4	-78.4	4.8	0	0	0	111.6	N625 V626	N623-N625 PolarHBondContact O-N 2.97Å; N623-V626 PolarHBondContact O-N 2.87Å; N623-V626 VanDerWaalsContact O-O 3.05Å
624	A	55.7	Low	71.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.7	-8.5	168.3	0	0	0	0	0	113.5	L531 M534 R535 Y610 H611 S622	L531-A624 WeakPolarHBondContact CD1-O 3.44Å; M534-A624 HydrophobicContact CB-CB 4.23Å; R535-A624 HydrophobicContact CG-CB 3.94Å; Y610-A624 VanDerWaalsContact CD1-O 3.31Å; Y610-A624 WeakPolarHBondContact CD1-O 3.39Å; H611-A624 WeakPolarHBondContact O-CA 3.33Å; H611-A624 PolarHBondContact O-N 3.19Å; S622-A624 PolarHBondContact O-N 3.16Å; S622-A624 VanDerWaalsContact O-N 3.17Å
625	N	64.3	Low	71.7	Confident	64 Å²	64	59.4 Å²	59.4	34%	0.342	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-78.9	-26.8	168.8	-65.9	-33.5	0	0	0	113.3	R535 T620 S622 N623	R535-N625 WeakPolarHBondContact CD-OD1 3.38Å; R535-N625 WeakPolarHBondContact CG-OD1 2.96Å; R535-N625 PolarHBondContact NE-OD1 3.17Å; R535-N625 VanDerWaalsContact NE-OD1 3.11Å; T620-N625 PolarHBondContact O-ND2 3.24Å; S622-N625 VanDerWaalsContact O-CB 3.24Å; S622-N625 WeakPolarHBondContact O-CB 3.49Å; S622-N625 PolarHBondContact O-N 2.85Å; S622-N625 PolarHBondContact O-ND2 3.24Å; N623-N625 PolarHBondContact O-N 2.97Å
626	V	75.3	Confident	72.1	Confident	99 Å²	99	60.1 Å²	60.1	60%	0.6	32%	0.319	S	S	*	.	S	Bend	trans	-107.4	111.8	-175.4	-173.2	0	0	0	0	108.9	N623	N623-V626 PolarHBondContact O-N 2.87Å; N623-V626 VanDerWaalsContact O-O 3.05Å
627	G	83.8	Confident	73.4	Confident	15 Å²	15	53.4 Å²	53.4	16%	0.155	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-74.7	144.5	173	0	0	0	0	0	110.1	M608 Y610	M608-G627 VanDerWaalsContact CE-O 3.23Å; M608-G627 WeakPolarHBondContact CE-O 3.48Å; Y610-G627 VanDerWaalsContact CE1-CA 3.45Å; Y610-G627 VanDerWaalsContact CE1-N 3.28Å
628	I	88.4	Confident	75.2	Confident	40 Å²	40	52.8 Å²	52.8	21%	0.205	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125	173.1	-55.1	173.7	0	0	0	108.6	V609 F630 F674	V609-I628 PolarHBondContact N-O 3.44Å; V609-I628 PolarHBondContact O-N 3.43Å; I628-F630 HydrophobicContact CB-CD2 4.39Å; I628-F630 HydrophobicContact CB-CE2 3.87Å; I628-F630 HydrophobicContact CG2-CD2 4.02Å; I628-F630 HydrophobicContact CG2-CE2 3.52Å; I628-F630 HydrophobicContact CG2-CZ 3.79Å; I628-F674 HydrophobicContact CD1-CZ 4.47Å
629	G	87.2	Confident	77.2	Confident	16 Å²	16	51 Å²	51	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138	170.8	0	0	0	0	0	110.4	M608	M608-G629 VanDerWaalsContact CE-N 3.35Å
630	F	89.4	Confident	79.4	Confident	39 Å²	39	47.5 Å²	47.5	17%	0.171	25%	0.253	C	S	.	.			trans	-133.2	149.8	178.1	-82.2	-77.1	0	0	0	111.2	V609 I628 F634 L635 F669 L672 F674	V609-F630 HydrophobicContact CB-CD2 3.86Å; V609-F630 HydrophobicContact CB-CE2 3.77Å; V609-F630 HydrophobicContact CG1-CE2 4.22Å; V609-F630 HydrophobicContact CG2-CD2 3.46Å; V609-F630 VanDerWaalsContact CG2-CD2 3.46Å; V609-F630 HydrophobicContact CG2-CE2 3.82Å; I628-F630 HydrophobicContact CB-CD2 4.39Å; I628-F630 HydrophobicContact CB-CE2 3.87Å; I628-F630 HydrophobicContact CG2-CD2 4.02Å; I628-F630 HydrophobicContact CG2-CE2 3.52Å; I628-F630 HydrophobicContact CG2-CZ 3.79Å; F630-F634 HydrophobicContact CB-CB 3.89Å; F630-F634 HydrophobicContact CD1-CB 3.79Å; F630-F634 HydrophobicContact CD1-CD1 4.05Å; F630-F634 HydrophobicContact CD1-CD2 4.49Å; F630-F634 AromaticContact CD1-CG 3.87Å; F630-F634 HydrophobicContact CD1-CG 3.87Å; F630-F634 HydrophobicContact CE1-CD1 4.33Å; F630-F634 HydrophobicContact CG-CB 4.06Å; F630-L635 HydrophobicContact CB-CD2 3.7Å; F630-L635 HydrophobicContact CB-CG 4.02Å; F630-F669 HydrophobicContact CE1-CE1 4.32Å; F630-F669 HydrophobicContact CZ-CE1 4.46Å; F630-L672 HydrophobicContact CE1-CD1 3.91Å; F630-L672 HydrophobicContact CZ-CD1 3.52Å; F630-F674 HydrophobicContact CE2-CE2 4.15Å; F630-F674 HydrophobicContact CZ-CE2 4.12Å
631	H	88.7	Confident	81.9	Confident	115 Å²	115	42 Å²	42	53%	0.532	22%	0.219	S	C	.	.			trans	-61.9	152.7	169.5	-177.2	-99.7	0	0	0	111.6	K633 F634 L635	H631-K633 PolarHBondContact ND1-N 3.3Å; H631-K633 PolarHBondContact O-N 2.87Å; H631-F634 HydrophobicContact CB-CD2 4.02Å; H631-F634 HydrophobicContact CB-CE2 4.41Å; H631-F634 WeakPolarHBondContact O-CB 3.04Å; H631-F634 PolarHBondContact O-N 3.3Å; H631-L635 PolarHBondContact O-N 3.48Å
632	K	87.6	Confident	84.3	Confident	109 Å²	109	38.2 Å²	38.2	47%	0.474	20%	0.198	S	C	.	.	H	α-helix	trans	-45.6	-44.4	-174.6	-161.7	-169.2	179.9	-179.2	0	113.6	F515 F634 L635 I636	F515-K632 HydrophobicContact CD2-CD 4.37Å; F515-K632 HydrophobicContact CD2-CG 4.04Å; F515-K632 HydrophobicContact CE1-CG 4.46Å; F515-K632 HydrophobicContact CE2-CB 4.39Å; F515-K632 HydrophobicContact CE2-CD 3.95Å; F515-K632 HydrophobicContact CE2-CG 3.19Å; F515-K632 HydrophobicContact CZ-CB 4.22Å; F515-K632 HydrophobicContact CZ-CG 3.45Å; F515-K632 VanDerWaalsContact CZ-CG 3.45Å; K632-F634 PolarHBondContact O-N 3.04Å; K632-L635 PolarHBondContact O-N 3.1Å; K632-I636 HydrophobicContact CD-CD1 4.43Å; K632-I636 HydrophobicContact CG-CD1 4.11Å; K632-I636 WeakPolarHBondContact O-CG1 3.39Å; K632-I636 PolarHBondContact O-N 2.88Å
633	K	91.8	Very high	86.2	Confident	79 Å²	79	44.4 Å²	44.4	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-44.5	-178.6	-64.2	-179.9	-177.6	-175.4	0	112.2	H631 I636 A637 L656 D661	H631-K633 PolarHBondContact ND1-N 3.3Å; H631-K633 PolarHBondContact O-N 2.87Å; K633-I636 PolarHBondContact O-N 3.41Å; K633-A637 PolarHBondContact O-N 2.89Å; K633-A637 VanDerWaalsContact O-N 3.08Å; K633-L656 HydrophobicContact CB-CD2 4.08Å; K633-L656 WeakPolarHBondContact O-CD2 3.47Å; K633-D661 HydrophobicContact CD-CB 4.4Å; K633-D661 WeakPolarHBondContact CE-OD2 3.39Å; K633-D661 IonicContact NZ-OD1 3.13Å; K633-D661 PolarHBondContact NZ-OD1 3.3Å; K633-D661 IonicContact NZ-OD2 3.36Å; K633-D661 PolarHBondContact NZ-OD2 2.75Å
634	F	94.1	Very high	88	Confident	33 Å²	33	44.9 Å²	44.9	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-42	177.8	-67.3	-96.1	0	0	0	111.3	F630 H631 K632 I636 A637 L638 V665 T668 F669	F630-F634 HydrophobicContact CB-CB 3.89Å; F630-F634 HydrophobicContact CD1-CB 3.79Å; F630-F634 HydrophobicContact CD1-CD1 4.05Å; F630-F634 HydrophobicContact CD1-CD2 4.49Å; F630-F634 AromaticContact CD1-CG 3.87Å; F630-F634 HydrophobicContact CD1-CG 3.87Å; F630-F634 HydrophobicContact CE1-CD1 4.33Å; F630-F634 HydrophobicContact CG-CB 4.06Å; H631-F634 HydrophobicContact CB-CD2 4.02Å; H631-F634 HydrophobicContact CB-CE2 4.41Å; H631-F634 WeakPolarHBondContact O-CB 3.04Å; H631-F634 PolarHBondContact O-N 3.3Å; K632-F634 PolarHBondContact O-N 3.04Å; F634-I636 VanDerWaalsContact C-N 3.33Å; F634-I636 PolarHBondContact O-N 2.78Å; F634-A637 PolarHBondContact O-N 2.87Å; F634-L638 WeakPolarHBondContact O-CB 3.49Å; F634-L638 PolarHBondContact O-N 3.15Å; F634-V665 HydrophobicContact CD1-CB 4.18Å; F634-V665 HydrophobicContact CD1-CG1 3.89Å; F634-V665 HydrophobicContact CD1-CG2 3.8Å; F634-V665 HydrophobicContact CD2-CG2 4.31Å; F634-V665 HydrophobicContact CE1-CB 4.21Å; F634-V665 HydrophobicContact CE1-CG1 4.37Å; F634-V665 HydrophobicContact CE1-CG2 3.82Å; F634-V665 HydrophobicContact CE2-CG2 4.35Å; F634-V665 HydrophobicContact CG-CG1 4.49Å; F634-V665 HydrophobicContact CG-CG2 4.04Å; F634-V665 HydrophobicContact CZ-CG2 4.11Å; F634-T668 HydrophobicContact CE1-CG2 3.83Å; F634-F669 HydrophobicContact CB-CE1 4.27Å; F634-F669 HydrophobicContact CB-CZ 4.03Å; F634-F669 HydrophobicContact CD1-CD1 4.49Å; F634-F669 AromaticContact CD1-CE1 3.86Å; F634-F669 HydrophobicContact CD1-CE1 3.86Å; F634-F669 HydrophobicContact CD1-CZ 4.14Å; F634-F669 WeakPolarHBondContact O-CZ 3.4Å
635	L	92.5	Very high	90	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-42	178.4	-60.4	179.4	0	0	0	111.9	L514 F515 L578 F607 V609 F630 H631 K632 S639	L514-L635 HydrophobicContact CD2-CB 4.36Å; F515-L635 HydrophobicContact CE1-CD1 3.62Å; F515-L635 HydrophobicContact CZ-CB 4.09Å; F515-L635 HydrophobicContact CZ-CD1 3.66Å; F515-L635 HydrophobicContact CZ-CG 4.5Å; L578-L635 HydrophobicContact CD1-CD2 3.66Å; F607-L635 HydrophobicContact CB-CD1 3.77Å; V609-L635 HydrophobicContact CG2-CD2 3.99Å; F630-L635 HydrophobicContact CB-CD2 3.7Å; F630-L635 HydrophobicContact CB-CG 4.02Å; H631-L635 PolarHBondContact O-N 3.48Å; K632-L635 PolarHBondContact O-N 3.1Å; L635-S639 VanDerWaalsContact O-CB 3.24Å; L635-S639 WeakPolarHBondContact O-CB 3.24Å; L635-S639 PolarHBondContact O-N 3.32Å
636	I	92	Very high	91.4	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.113	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-50.8	175.4	-71.9	166.8	0	0	0	111	Y511 L514 F515 K632 K633 F634 S639 H640 P655 L656	Y511-I636 HydrophobicContact CD1-CG2 4.15Å; Y511-I636 HydrophobicContact CG-CG2 3.98Å; L514-I636 HydrophobicContact CD2-CG1 4.17Å; F515-I636 HydrophobicContact CE2-CG1 4.47Å; K632-I636 HydrophobicContact CD-CD1 4.43Å; K632-I636 HydrophobicContact CG-CD1 4.11Å; K632-I636 WeakPolarHBondContact O-CG1 3.39Å; K632-I636 PolarHBondContact O-N 2.88Å; K633-I636 PolarHBondContact O-N 3.41Å; F634-I636 VanDerWaalsContact C-N 3.33Å; F634-I636 PolarHBondContact O-N 2.78Å; I636-S639 PolarHBondContact O-N 3.3Å; I636-H640 PolarHBondContact O-N 3Å; I636-P655 HydrophobicContact CG2-CB 4.44Å; I636-P655 HydrophobicContact CG2-CG 3.76Å; I636-P655 WeakPolarHBondContact CG2-O 3.42Å; I636-L656 HydrophobicContact CB-CD2 4.25Å; I636-L656 HydrophobicContact CG2-CD2 3.94Å
637	A	95.1	Very high	92.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-43.7	178.6	0	0	0	0	0	112.8	K633 F634 S639 H640 L641 L654 L656 V665 F669	K633-A637 PolarHBondContact O-N 2.89Å; K633-A637 VanDerWaalsContact O-N 3.08Å; F634-A637 PolarHBondContact O-N 2.87Å; A637-S639 VanDerWaalsContact C-N 3.34Å; A637-S639 PolarHBondContact O-N 3.37Å; A637-H640 WeakPolarHBondContact O-CB 3.3Å; A637-H640 PolarHBondContact O-N 3.3Å; A637-H640 VanDerWaalsContact O-N 3.16Å; A637-L641 WeakPolarHBondContact O-CG 3.37Å; A637-L641 PolarHBondContact O-N 3Å; A637-L654 HydrophobicContact CB-CD1 4.39Å; A637-L654 HydrophobicContact CB-CD2 4.22Å; A637-L656 HydrophobicContact CB-CD1 4.35Å; A637-V665 HydrophobicContact CB-CG1 3.53Å; A637-F669 HydrophobicContact CB-CE2 4.16Å
638	L	95.4	Very high	93	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-42.6	177.9	-178.9	61.4	0	0	0	111	L570 I576 L578 V609 F634 H640 L641 I642 F669	L570-L638 HydrophobicContact CD1-CD1 3.84Å; I576-L638 HydrophobicContact CG2-CD1 4.12Å; I576-L638 HydrophobicContact CG2-CD2 4.41Å; L578-L638 HydrophobicContact CB-CD2 4.39Å; V609-L638 HydrophobicContact CB-CD2 4.24Å; V609-L638 HydrophobicContact CG1-CD2 3.7Å; V609-L638 HydrophobicContact CG2-CD2 3.42Å; V609-L638 VanDerWaalsContact CG2-CD2 3.42Å; F634-L638 WeakPolarHBondContact O-CB 3.49Å; F634-L638 PolarHBondContact O-N 3.15Å; L638-H640 PolarHBondContact O-N 2.89Å; L638-L641 PolarHBondContact O-N 3.36Å; L638-L641 VanDerWaalsContact O-N 3.16Å; L638-I642 HydrophobicContact CD1-CD1 4.31Å; L638-I642 HydrophobicContact CD1-CG1 4.36Å; L638-I642 HydrophobicContact CG-CD1 3.94Å; L638-I642 HydrophobicContact CG-CG1 4.43Å; L638-I642 WeakPolarHBondContact O-CG1 3.31Å; L638-I642 PolarHBondContact O-N 3.26Å; L638-F669 HydrophobicContact CB-CE2 3.94Å; L638-F669 HydrophobicContact CB-CZ 3.73Å; L638-F669 HydrophobicContact CD1-CE2 4.5Å
639	S	93.2	Very high	93.3	Very high	14 Å²	14	44 Å²	44	10%	0.098	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-34.7	175.8	-161.1	0	0	0	0	112	L514 L635 I636 A637 R643	L514-S639 WeakPolarHBondContact CD1-OG 3Å; L635-S639 VanDerWaalsContact O-CB 3.24Å; L635-S639 WeakPolarHBondContact O-CB 3.24Å; L635-S639 PolarHBondContact O-N 3.32Å; I636-S639 PolarHBondContact O-N 3.3Å; A637-S639 VanDerWaalsContact C-N 3.34Å; A637-S639 PolarHBondContact O-N 3.37Å; S639-R643 WeakPolarHBondContact O-CG 3.32Å; S639-R643 PolarHBondContact O-N 3.47Å; S639-R643 VanDerWaalsContact O-N 3.16Å; S639-R643 PolarHBondContact O-NH1 3.3Å; S639-R643 PolarHBondContact OG-NH1 3Å
640	H	95	Very high	93.8	Very high	22 Å²	22	44.5 Å²	44.5	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-65.9	-46.9	172.6	-167	105.8	0	0	0	111.8	Y511 I636 A637 L638 I642 R643 K644 P655	Y511-H640 HydrophobicContact CE1-CB 3.82Å; Y511-H640 HydrophobicContact CE2-CB 4.44Å; Y511-H640 AromaticContact CE2-ND1 3.39Å; Y511-H640 WeakPolarHBondContact CE2-ND1 3.15Å; Y511-H640 AromaticContact CZ-CG 3.79Å; Y511-H640 AromaticContact CZ-ND1 3.27Å; Y511-H640 VanDerWaalsContact CZ-ND1 3.27Å; Y511-H640 WeakPolarHBondContact OH-CA 3.3Å; Y511-H640 WeakPolarHBondContact OH-CB 3.23Å; Y511-H640 VanDerWaalsContact OH-CG 3.3Å; Y511-H640 PolarHBondContact OH-ND1 3.21Å; I636-H640 PolarHBondContact O-N 3Å; A637-H640 WeakPolarHBondContact O-CB 3.3Å; A637-H640 PolarHBondContact O-N 3.3Å; A637-H640 VanDerWaalsContact O-N 3.16Å; L638-H640 PolarHBondContact O-N 2.89Å; H640-I642 PolarHBondContact O-N 2.82Å; H640-R643 PolarHBondContact O-N 2.75Å; H640-K644 WeakPolarHBondContact NE2-CG 3.49Å; H640-K644 WeakPolarHBondContact O-CG 3.15Å; H640-K644 PolarHBondContact O-N 3.05Å; H640-P655 HydrophobicContact CB-CG 3.75Å; H640-P655 WeakPolarHBondContact ND1-CD 3.48Å; H640-P655 WeakPolarHBondContact ND1-CG 3.18Å
641	L	96.5	Very high	94.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-43	178	-73.5	167.1	0	0	0	112.2	I568 L570 A637 L638 R643 K644 Y645 I649 L654 F669 I675	I568-L641 HydrophobicContact CD1-CD2 4.16Å; I568-L641 HydrophobicContact CG1-CD2 4.29Å; L570-L641 HydrophobicContact CB-CB 4.5Å; A637-L641 WeakPolarHBondContact O-CG 3.37Å; A637-L641 PolarHBondContact O-N 3Å; L638-L641 PolarHBondContact O-N 3.36Å; L638-L641 VanDerWaalsContact O-N 3.16Å; L641-R643 VanDerWaalsContact C-N 3.35Å; L641-R643 PolarHBondContact O-N 2.92Å; L641-K644 PolarHBondContact O-N 2.92Å; L641-Y645 PolarHBondContact O-N 3.47Å; L641-I649 HydrophobicContact CD2-CD1 3.61Å; L641-I649 HydrophobicContact CD2-CG1 3.97Å; L641-I649 HydrophobicContact CG-CD1 4.41Å; L641-L654 HydrophobicContact CD2-CD2 4.41Å; L641-L654 HydrophobicContact CG-CD2 4.18Å; L641-F669 HydrophobicContact CD1-CD2 3.81Å; L641-F669 HydrophobicContact CD1-CE2 4.06Å; L641-I675 HydrophobicContact CD1-CG2 3.88Å
642	I	94.6	Very high	94.5	Very high	48 Å²	48	43.1 Å²	43.1	25%	0.246	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-45.1	175.7	-70.1	168.3	0	0	0	110.5	L570 L578 L638 H640 K644	L570-I642 HydrophobicContact CD2-CG1 4.07Å; L578-I642 HydrophobicContact CB-CD1 4.03Å; L638-I642 HydrophobicContact CD1-CD1 4.31Å; L638-I642 HydrophobicContact CD1-CG1 4.36Å; L638-I642 HydrophobicContact CG-CD1 3.94Å; L638-I642 HydrophobicContact CG-CG1 4.43Å; L638-I642 WeakPolarHBondContact O-CG1 3.31Å; L638-I642 PolarHBondContact O-N 3.26Å; H640-I642 PolarHBondContact O-N 2.82Å; I642-K644 VanDerWaalsContact C-N 3.34Å; I642-K644 PolarHBondContact O-N 3.44Å
643	R	93.2	Very high	94.9	Very high	135 Å²	135	41 Å²	41	51%	0.509	19%	0.191	S	C	.	.	H	α-helix	trans	-68.3	-30.5	179.4	-74.6	-171.9	-174.9	88.7	-2.5	113.8	S639 H640 L641	S639-R643 WeakPolarHBondContact O-CG 3.32Å; S639-R643 PolarHBondContact O-N 3.47Å; S639-R643 VanDerWaalsContact O-N 3.16Å; S639-R643 PolarHBondContact O-NH1 3.3Å; S639-R643 PolarHBondContact OG-NH1 3Å; H640-R643 PolarHBondContact O-N 2.75Å; L641-R643 VanDerWaalsContact C-N 3.35Å; L641-R643 PolarHBondContact O-N 2.92Å
644	K	95.4	Very high	95.1	Very high	83 Å²	83	37.4 Å²	37.4	36%	0.361	18%	0.176	S	C	.	.	H	α-helix	trans	-90.3	-12	-178.5	-65.9	-62.9	-176.4	178.6	0	113.5	H640 L641 I642 M647 I649	H640-K644 WeakPolarHBondContact NE2-CG 3.49Å; H640-K644 WeakPolarHBondContact O-CG 3.15Å; H640-K644 PolarHBondContact O-N 3.05Å; L641-K644 PolarHBondContact O-N 2.92Å; I642-K644 VanDerWaalsContact C-N 3.34Å; I642-K644 PolarHBondContact O-N 3.44Å; K644-M647 HydrophobicContact CB-CE 4.49Å; K644-M647 HydrophobicContact CD-CE 3.88Å; K644-M647 VanDerWaalsContact O-CB 3.22Å; K644-M647 WeakPolarHBondContact O-CB 3.41Å; K644-M647 WeakPolarHBondContact O-CG 3.49Å; K644-M647 PolarHBondContact O-N 2.79Å; K644-I649 HydrophobicContact CB-CG2 4.07Å; K644-I649 HydrophobicContact CG-CG2 4.24Å
645	Y	96	Very high	95.2	Very high	27 Å²	27	37.4 Å²	37.4	11%	0.106	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.1	178.3	179.9	-92.8	0	0	0	111.9	P169 L170 E287 R569 L570 S573 L641	P169-Y645 HydrophobicContact CG-CE2 4.27Å; P169-Y645 WeakPolarHBondContact CG-OH 3.5Å; L170-Y645 HydrophobicContact CD1-CD1 4.44Å; L170-Y645 HydrophobicContact CD1-CE1 4.13Å; L170-Y645 HydrophobicContact CD2-CE1 4.28Å; L170-Y645 HydrophobicContact CG-CE1 4.05Å; E287-Y645 PolarHBondContact OE2-OH 3.39Å; R569-Y645 HydrophobicContact CG-CD2 4.3Å; R569-Y645 VanDerWaalsContact NH1-CE2 3.28Å; L570-Y645 HydrophobicContact CB-CD2 4.01Å; L570-Y645 WeakPolarHBondContact O-CD2 3.22Å; L570-Y645 WeakPolarHBondContact O-CE2 3.25Å; S573-Y645 VanDerWaalsContact CB-CD1 3.45Å; S573-Y645 PolarHBondContact N-OH 2.95Å; S573-Y645 VanDerWaalsContact OG-CE1 3.25Å; S573-Y645 WeakPolarHBondContact OG-CE1 3.35Å; L641-Y645 PolarHBondContact O-N 3.47Å
646	P	95.1	Very high	95.2	Very high	24 Å²	24	38.6 Å²	38.6	16%	0.156	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.4	35.6	3.8	39.7	-37.1	0	0	0	113.3	N168 L170 R569	N168-P646 WeakPolarHBondContact ND2-CG 3.49Å; N168-P646 WeakPolarHBondContact OD1-CG 3.31Å; L170-P646 HydrophobicContact CD1-CG 3.95Å; L170-P646 HydrophobicContact CG-CG 4.36Å; R569-P646 WeakPolarHBondContact CD-O 3.36Å
647	M	94.8	Very high	95.2	Very high	108 Å²	108	46.5 Å²	46.5	53%	0.532	22%	0.222	S	C	.	.	S	Bend	trans	-82.9	141.9	179.1	-56.8	-162.5	-56.7	0	0	112.1	K644	K644-M647 HydrophobicContact CB-CE 4.49Å; K644-M647 HydrophobicContact CD-CE 3.88Å; K644-M647 VanDerWaalsContact O-CB 3.22Å; K644-M647 WeakPolarHBondContact O-CB 3.41Å; K644-M647 WeakPolarHBondContact O-CG 3.49Å; K644-M647 PolarHBondContact O-N 2.79Å
648	F	96.2	Very high	95.1	Very high	27 Å²	27	52.6 Å²	52.6	12%	0.118	25%	0.249	C	C	.	.			trans	-76.9	127.2	164.7	-73.5	-84.9	0	0	0	109.6	T164 L167 K567 I568 R569 I676 T677 E678	T164-F648 HydrophobicContact CG2-CD2 4.22Å; L167-F648 HydrophobicContact CB-CE2 4.18Å; L167-F648 HydrophobicContact CB-CZ 4.46Å; L167-F648 HydrophobicContact CD1-CZ 4.44Å; K567-F648 HydrophobicContact CB-CB 4.05Å; I568-F648 CarbonylContact O-C 3.58Å; I568-F648 WeakPolarHBondContact O-CA 3.37Å; R569-F648 HydrophobicContact CB-CD1 3.56Å; R569-F648 HydrophobicContact CB-CD2 4.4Å; R569-F648 HydrophobicContact CB-CE1 3.63Å; R569-F648 HydrophobicContact CB-CE2 4.47Å; R569-F648 HydrophobicContact CB-CG 3.97Å; R569-F648 HydrophobicContact CB-CZ 4.11Å; F648-I676 HydrophobicContact CE1-CD1 4.38Å; F648-I676 HydrophobicContact CE1-CG1 4.04Å; F648-I676 HydrophobicContact CZ-CD1 4.03Å; F648-I676 HydrophobicContact CZ-CG1 4.19Å; F648-T677 VanDerWaalsContact CE1-C 3.49Å; F648-E678 HydrophobicContact CB-CB 4.31Å; F648-E678 HydrophobicContact CD1-CB 3.64Å; F648-E678 HydrophobicContact CD1-CG 4.46Å; F648-E678 HydrophobicContact CD2-CG 4.5Å; F648-E678 HydrophobicContact CE1-CB 4.03Å; F648-E678 HydrophobicContact CG-CB 3.91Å; F648-E678 HydrophobicContact CG-CG 4.27Å
649	I	96.2	Very high	95.1	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.072	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.2	178.8	62.5	175	0	0	0	110.1	K567 I568 L641 K644 L654	K567-I649 CarbonylContact C-O 3.54Å; K567-I649 VanDerWaalsContact CA-O 3.26Å; K567-I649 WeakPolarHBondContact CA-O 3.41Å; I568-I649 HydrophobicContact CG1-CG1 4.4Å; I568-I649 PolarHBondContact N-O 3.19Å; I568-I649 PolarHBondContact O-N 3.11Å; L641-I649 HydrophobicContact CD2-CD1 3.61Å; L641-I649 HydrophobicContact CD2-CG1 3.97Å; L641-I649 HydrophobicContact CG-CD1 4.41Å; K644-I649 HydrophobicContact CB-CG2 4.07Å; K644-I649 HydrophobicContact CG-CG2 4.24Å; I649-L654 HydrophobicContact CD1-CD2 4.02Å
650	P	97	Very high	95.1	Very high	25 Å²	25	61 Å²	61	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	142.3	171.2	-21.1	32.9	0	0	0	111.3	S566 K567 R652 C653	S566-P650 WeakPolarHBondContact O-CA 3.39Å; K567-P650 HydrophobicContact CD-CG 4.07Å; K567-P650 HydrophobicContact CG-CG 4.14Å; P650-R652 VanDerWaalsContact C-N 3.26Å; P650-R652 HydrophobicContact CB-CG 3.92Å; P650-R652 PolarHBondContact O-N 3.22Å; P650-C653 VanDerWaalsContact O-CB 3.31Å; P650-C653 WeakPolarHBondContact O-CB 3.41Å; P650-C653 PolarHBondContact O-N 2.92Å
651	I	97.3	Very high	95.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-56.6	-40.1	178.8	-73.8	171.3	0	0	0	111.7	L562 T563 I564 S566 I568 C653 L654 C662 L663 A666	L562-I651 HydrophobicContact CB-CD1 4.28Å; L562-I651 HydrophobicContact CD2-CD1 4.24Å; T563-I651 WeakPolarHBondContact O-CD1 3.42Å; I564-I651 PolarHBondContact O-N 3.03Å; S566-I651 WeakPolarHBondContact O-CG1 3.35Å; S566-I651 PolarHBondContact O-N 2.84Å; I568-I651 HydrophobicContact CD1-CG1 3.86Å; I568-I651 HydrophobicContact CG1-CG1 3.97Å; I568-I651 HydrophobicContact CG2-CD1 4Å; I568-I651 HydrophobicContact CG2-CG1 3.96Å; I651-C653 PolarHBondContact O-N 3.18Å; I651-L654 HydrophobicContact CG2-CD1 4.49Å; I651-L654 WeakPolarHBondContact O-CB 3.16Å; I651-L654 WeakPolarHBondContact O-CG 3.35Å; I651-L654 PolarHBondContact O-N 2.96Å; I651-C662 HydrophobicContact CG2-CB 3.88Å; I651-C662 WeakPolarHBondContact CG2-O 3.41Å; I651-L663 HydrophobicContact CD1-CD1 4.46Å; I651-A666 HydrophobicContact CD1-CB 3.48Å; I651-A666 VanDerWaalsContact CD1-CB 3.48Å; I651-A666 HydrophobicContact CG1-CB 3.72Å; I651-A666 HydrophobicContact CG2-CB 4.03Å
652	R	95.8	Very high	95.2	Very high	126 Å²	126	61 Å²	61	48%	0.475	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.3	-16.4	174.3	66.5	179.7	-178.8	-174.2	-1.4	114.9	I564 H565 P650	I564-R652 HydrophobicContact CB-CB 4.21Å; I564-R652 WeakPolarHBondContact O-CB 3.43Å; I564-R652 WeakPolarHBondContact O-CG 3.46Å; I564-R652 PolarHBondContact O-N 3.03Å; H565-R652 PolarHBondContact CE1-NH1 3.48Å; H565-R652 VanDerWaalsContact CE1-NH1 3.3Å; H565-R652 PolarHBondContact ND1-NH1 2.99Å; P650-R652 VanDerWaalsContact C-N 3.26Å; P650-R652 HydrophobicContact CB-CG 3.92Å; P650-R652 PolarHBondContact O-N 3.22Å
653	C	96	Very high	95.2	Very high	63 Å²	63	60.7 Å²	60.7	43%	0.426	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-92.4	1.6	178.9	-61.7	0	0	0	0	112.8	P650 I651	P650-C653 VanDerWaalsContact O-CB 3.31Å; P650-C653 WeakPolarHBondContact O-CB 3.41Å; P650-C653 PolarHBondContact O-N 2.92Å; I651-C653 PolarHBondContact O-N 3.18Å
654	L	96.1	Very high	95.4	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.026	29%	0.288	C	S	.	.	S	Bend	trans	-63	138.6	167.4	-68.2	175.8	0	0	0	109.2	I568 A637 L641 I649 I651 L656 C662	I568-L654 HydrophobicContact CD1-CD1 4.45Å; A637-L654 HydrophobicContact CB-CD1 4.39Å; A637-L654 HydrophobicContact CB-CD2 4.22Å; L641-L654 HydrophobicContact CD2-CD2 4.41Å; L641-L654 HydrophobicContact CG-CD2 4.18Å; I649-L654 HydrophobicContact CD1-CD2 4.02Å; I651-L654 HydrophobicContact CG2-CD1 4.49Å; I651-L654 WeakPolarHBondContact O-CB 3.16Å; I651-L654 WeakPolarHBondContact O-CG 3.35Å; I651-L654 PolarHBondContact O-N 2.96Å; L654-L656 PolarHBondContact O-N 3.33Å; L654-C662 HydrophobicContact CB-CB 4.29Å; L654-C662 HydrophobicContact CD1-CB 4.37Å
655	P	94.9	Very high	95.4	Very high	33 Å²	33	54.4 Å²	54.4	21%	0.214	27%	0.272	C	S	.	.	S	Bend	trans	-81.5	61.5	-173	34.9	-36.5	0	0	0	110.9	Y511 I636 H640	Y511-P655 HydrophobicContact CD1-CG 4.39Å; Y511-P655 HydrophobicContact CD2-CB 3.6Å; Y511-P655 HydrophobicContact CD2-CG 3.58Å; Y511-P655 HydrophobicContact CE1-CG 4.37Å; Y511-P655 HydrophobicContact CE2-CB 3.8Å; Y511-P655 HydrophobicContact CE2-CG 3.6Å; Y511-P655 HydrophobicContact CG-CB 4.41Å; Y511-P655 HydrophobicContact CG-CG 4.08Å; I636-P655 HydrophobicContact CG2-CB 4.44Å; I636-P655 HydrophobicContact CG2-CG 3.76Å; I636-P655 WeakPolarHBondContact CG2-O 3.42Å; H640-P655 HydrophobicContact CB-CG 3.75Å; H640-P655 WeakPolarHBondContact ND1-CD 3.48Å; H640-P655 WeakPolarHBondContact ND1-CG 3.18Å
656	L	94.2	Very high	95.4	Very high	29 Å²	29	53.1 Å²	53.1	15%	0.152	27%	0.267	C	S	.	.			trans	-122.4	154	174.8	-52.4	175.3	0	0	0	108.9	K633 I636 A637 L654 D661 V665	K633-L656 HydrophobicContact CB-CD2 4.08Å; K633-L656 WeakPolarHBondContact O-CD2 3.47Å; I636-L656 HydrophobicContact CB-CD2 4.25Å; I636-L656 HydrophobicContact CG2-CD2 3.94Å; A637-L656 HydrophobicContact CB-CD1 4.35Å; L654-L656 PolarHBondContact O-N 3.33Å; L656-D661 HydrophobicContact CB-CB 4.27Å; L656-D661 HydrophobicContact CD1-CB 4.07Å; L656-V665 HydrophobicContact CD1-CB 4.33Å; L656-V665 HydrophobicContact CD1-CG2 3.86Å
657	E	90.9	Very high	95.4	Very high	188 Å²	188	53.2 Å²	53.2	88%	0.879	27%	0.266	S	S	*	.	S	Bend	trans	-69.6	-42.9	-173.3	-66.2	175.3	-175.5	0	0	112.6
658	K	93.8	Very high	95.4	Very high	129 Å²	129	49.6 Å²	49.6	56%	0.561	25%	0.25	S	C	*	.			trans	-104.7	137.4	-176.1	-60.1	-178	-178.9	-179.9	0	111.1	T660 D661 C662	K658-T660 WeakPolarHBondContact CB-OG1 3.41Å; K658-T660 PolarHBondContact O-N 3.25Å; K658-D661 HydrophobicContact CB-CB 4.31Å; K658-D661 WeakPolarHBondContact O-CB 3.28Å; K658-D661 PolarHBondContact O-N 3.48Å; K658-D661 VanDerWaalsContact O-N 3.12Å; K658-C662 PolarHBondContact O-N 2.92Å; K658-C662 VanDerWaalsContact O-N 3.09Å; K658-C662 PolarHBondContact O-SG 3.34Å
659	H	94	Very high	95.3	Very high	104 Å²	104	48.3 Å²	48.3	48%	0.481	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-31	172.2	-76.6	176.5	0	0	0	113.1	I564 C662 L663	I564-H659 HydrophobicContact CG2-CB 4.08Å; H659-C662 WeakPolarHBondContact O-CB 3.34Å; H659-C662 PolarHBondContact O-N 2.77Å; H659-L663 WeakPolarHBondContact O-CB 3.41Å; H659-L663 PolarHBondContact O-N 3.22Å
660	T	95	Very high	95.2	Very high	86 Å²	86	47.6 Å²	47.6	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-45.2	173.2	50.8	0	0	0	0	111.1	K658 C662 L663 N664	K658-T660 WeakPolarHBondContact CB-OG1 3.41Å; K658-T660 PolarHBondContact O-N 3.25Å; T660-C662 PolarHBondContact O-N 3.25Å; T660-L663 PolarHBondContact O-N 3.25Å; T660-N664 WeakPolarHBondContact O-CB 3.32Å; T660-N664 VanDerWaalsContact O-CG 3.24Å; T660-N664 PolarHBondContact O-N 3.4Å; T660-N664 PolarHBondContact O-OD1 2.79Å
661	D	95.8	Very high	95	Very high	25 Å²	25	51.5 Å²	51.5	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-43.7	174.4	-69.8	-34	0	0	0	111.5	K633 L656 K658 L663 N664 V665	K633-D661 HydrophobicContact CD-CB 4.4Å; K633-D661 WeakPolarHBondContact CE-OD2 3.39Å; K633-D661 IonicContact NZ-OD1 3.13Å; K633-D661 PolarHBondContact NZ-OD1 3.3Å; K633-D661 IonicContact NZ-OD2 3.36Å; K633-D661 PolarHBondContact NZ-OD2 2.75Å; L656-D661 HydrophobicContact CB-CB 4.27Å; L656-D661 HydrophobicContact CD1-CB 4.07Å; K658-D661 HydrophobicContact CB-CB 4.31Å; K658-D661 WeakPolarHBondContact O-CB 3.28Å; K658-D661 PolarHBondContact O-N 3.48Å; K658-D661 VanDerWaalsContact O-N 3.12Å; D661-L663 VanDerWaalsContact C-N 3.31Å; D661-L663 PolarHBondContact O-N 2.79Å; D661-N664 PolarHBondContact O-N 3.04Å; D661-V665 WeakPolarHBondContact O-CB 2.97Å; D661-V665 VanDerWaalsContact O-CG2 3.28Å; D661-V665 WeakPolarHBondContact O-CG2 3.29Å; D661-V665 PolarHBondContact O-N 3.25Å
662	C	96.6	Very high	94.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-45.3	175.2	-64.9	0	0	0	0	111.9	I651 L654 K658 H659 T660 A666	I651-C662 HydrophobicContact CG2-CB 3.88Å; I651-C662 WeakPolarHBondContact CG2-O 3.41Å; L654-C662 HydrophobicContact CB-CB 4.29Å; L654-C662 HydrophobicContact CD1-CB 4.37Å; K658-C662 PolarHBondContact O-N 2.92Å; K658-C662 VanDerWaalsContact O-N 3.09Å; K658-C662 PolarHBondContact O-SG 3.34Å; H659-C662 WeakPolarHBondContact O-CB 3.34Å; H659-C662 PolarHBondContact O-N 2.77Å; T660-C662 PolarHBondContact O-N 3.25Å; C662-A666 WeakPolarHBondContact O-CB 3.4Å; C662-A666 PolarHBondContact O-N 2.9Å; C662-A666 VanDerWaalsContact O-N 3.09Å
663	L	95.9	Very high	94.6	Very high	42 Å²	42	48.1 Å²	48.1	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-47.1	-179.5	-173.3	62.4	0	0	0	111.6	L562 I651 H659 T660 D661 V665 A666 I667	L562-L663 HydrophobicContact CB-CD1 4.05Å; L562-L663 WeakPolarHBondContact O-CD1 3.33Å; I651-L663 HydrophobicContact CD1-CD1 4.46Å; H659-L663 WeakPolarHBondContact O-CB 3.41Å; H659-L663 PolarHBondContact O-N 3.22Å; T660-L663 PolarHBondContact O-N 3.25Å; D661-L663 VanDerWaalsContact C-N 3.31Å; D661-L663 PolarHBondContact O-N 2.79Å; L663-V665 PolarHBondContact O-N 2.97Å; L663-A666 PolarHBondContact O-N 2.8Å; L663-A666 VanDerWaalsContact O-N 3.16Å; L663-I667 HydrophobicContact CD1-CD1 4.34Å; L663-I667 HydrophobicContact CG-CD1 3.92Å; L663-I667 HydrophobicContact CG-CG1 4.5Å; L663-I667 WeakPolarHBondContact O-CG1 3.26Å; L663-I667 PolarHBondContact O-N 3.33Å
664	N	95.4	Very high	94.6	Very high	83 Å²	83	45.1 Å²	45.1	44%	0.444	23%	0.226	S	C	.	.	H	α-helix	trans	-58.8	-47.5	178.9	-70.6	-5.4	0	0	0	111.2	T660 D661 A666 I667 T668	T660-N664 WeakPolarHBondContact O-CB 3.32Å; T660-N664 VanDerWaalsContact O-CG 3.24Å; T660-N664 PolarHBondContact O-N 3.4Å; T660-N664 PolarHBondContact O-OD1 2.79Å; D661-N664 PolarHBondContact O-N 3.04Å; N664-A666 VanDerWaalsContact C-N 3.32Å; N664-A666 PolarHBondContact O-N 2.99Å; N664-I667 PolarHBondContact O-N 3.36Å; N664-T668 PolarHBondContact O-N 3.46Å; N664-T668 PolarHBondContact O-OG1 3.33Å; N664-T668 VanDerWaalsContact O-OG1 3.11Å
665	V	95.8	Very high	94.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-41.6	177.1	171.9	0	0	0	0	111.7	F634 A637 L656 D661 L663 T668 F669	F634-V665 HydrophobicContact CD1-CB 4.18Å; F634-V665 HydrophobicContact CD1-CG1 3.89Å; F634-V665 HydrophobicContact CD1-CG2 3.8Å; F634-V665 HydrophobicContact CD2-CG2 4.31Å; F634-V665 HydrophobicContact CE1-CB 4.21Å; F634-V665 HydrophobicContact CE1-CG1 4.37Å; F634-V665 HydrophobicContact CE1-CG2 3.82Å; F634-V665 HydrophobicContact CE2-CG2 4.35Å; F634-V665 HydrophobicContact CG-CG1 4.49Å; F634-V665 HydrophobicContact CG-CG2 4.04Å; F634-V665 HydrophobicContact CZ-CG2 4.11Å; A637-V665 HydrophobicContact CB-CG1 3.53Å; L656-V665 HydrophobicContact CD1-CB 4.33Å; L656-V665 HydrophobicContact CD1-CG2 3.86Å; D661-V665 WeakPolarHBondContact O-CB 2.97Å; D661-V665 VanDerWaalsContact O-CG2 3.28Å; D661-V665 WeakPolarHBondContact O-CG2 3.29Å; D661-V665 PolarHBondContact O-N 3.25Å; L663-V665 PolarHBondContact O-N 2.97Å; V665-T668 PolarHBondContact O-N 3.13Å; V665-F669 HydrophobicContact CG1-CD2 3.76Å; V665-F669 HydrophobicContact CG1-CE1 4.47Å; V665-F669 HydrophobicContact CG1-CE2 3.43Å; V665-F669 VanDerWaalsContact CG1-CE2 3.43Å; V665-F669 HydrophobicContact CG1-CG 4.41Å; V665-F669 HydrophobicContact CG1-CZ 3.82Å; V665-F669 WeakPolarHBondContact O-CB 3.26Å; V665-F669 WeakPolarHBondContact O-CG 3.33Å; V665-F669 PolarHBondContact O-N 3.14Å
666	A	96.3	Very high	94.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-42.8	177.1	0	0	0	0	0	112.2	I568 I651 C662 L663 N664 F669 Y670 I675	I568-A666 HydrophobicContact CD1-CB 4.07Å; I651-A666 HydrophobicContact CD1-CB 3.48Å; I651-A666 VanDerWaalsContact CD1-CB 3.48Å; I651-A666 HydrophobicContact CG1-CB 3.72Å; I651-A666 HydrophobicContact CG2-CB 4.03Å; C662-A666 WeakPolarHBondContact O-CB 3.4Å; C662-A666 PolarHBondContact O-N 2.9Å; C662-A666 VanDerWaalsContact O-N 3.09Å; L663-A666 PolarHBondContact O-N 2.8Å; L663-A666 VanDerWaalsContact O-N 3.16Å; N664-A666 VanDerWaalsContact C-N 3.32Å; N664-A666 PolarHBondContact O-N 2.99Å; A666-F669 PolarHBondContact O-N 3.43Å; A666-Y670 WeakPolarHBondContact O-CB 3.44Å; A666-Y670 PolarHBondContact O-N 3.32Å; A666-I675 HydrophobicContact CB-CD1 4.47Å; A666-I675 VanDerWaalsContact O-CD1 3.31Å; A666-I675 WeakPolarHBondContact O-CD1 3.47Å
667	I	94.7	Very high	94.6	Very high	26 Å²	26	42 Å²	42	13%	0.133	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-48.9	175.7	-71.6	168.2	0	0	0	110.1	L562 L663 N664 F669 Y670 K671	L562-I667 HydrophobicContact CB-CG1 4.47Å; L562-I667 HydrophobicContact CD1-CG1 4.11Å; L663-I667 HydrophobicContact CD1-CD1 4.34Å; L663-I667 HydrophobicContact CG-CD1 3.92Å; L663-I667 HydrophobicContact CG-CG1 4.5Å; L663-I667 WeakPolarHBondContact O-CG1 3.26Å; L663-I667 PolarHBondContact O-N 3.33Å; N664-I667 PolarHBondContact O-N 3.36Å; I667-F669 PolarHBondContact O-N 3.39Å; I667-Y670 WeakPolarHBondContact O-CB 3.27Å; I667-Y670 PolarHBondContact O-N 3.41Å; I667-K671 HydrophobicContact CG2-CD 4.11Å; I667-K671 WeakPolarHBondContact O-CG 3.29Å; I667-K671 PolarHBondContact O-N 2.97Å
668	T	94.7	Very high	94.7	Very high	32 Å²	32	33.7 Å²	33.7	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-45	179.1	-55.6	0	0	0	0	111.7	F634 N664 V665 Y670 K671 L672	F634-T668 HydrophobicContact CE1-CG2 3.83Å; N664-T668 PolarHBondContact O-N 3.46Å; N664-T668 PolarHBondContact O-OG1 3.33Å; N664-T668 VanDerWaalsContact O-OG1 3.11Å; V665-T668 PolarHBondContact O-N 3.13Å; T668-Y670 VanDerWaalsContact C-N 3.27Å; T668-Y670 PolarHBondContact O-N 2.88Å; T668-K671 PolarHBondContact O-N 3.48Å; T668-L672 HydrophobicContact CG2-CD1 4Å; T668-L672 HydrophobicContact CG2-CG 4.45Å; T668-L672 WeakPolarHBondContact O-CB 3.5Å; T668-L672 VanDerWaalsContact O-CG 3.3Å; T668-L672 WeakPolarHBondContact O-CG 3.25Å; T668-L672 PolarHBondContact O-N 2.86Å
669	F	95.5	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-33.1	176	-72.8	-13.9	0	0	0	112.9	F630 F634 A637 L638 L641 V665 A666 I667 L672 G673 F674 I675	F630-F669 HydrophobicContact CE1-CE1 4.32Å; F630-F669 HydrophobicContact CZ-CE1 4.46Å; F634-F669 HydrophobicContact CB-CE1 4.27Å; F634-F669 HydrophobicContact CB-CZ 4.03Å; F634-F669 HydrophobicContact CD1-CD1 4.49Å; F634-F669 AromaticContact CD1-CE1 3.86Å; F634-F669 HydrophobicContact CD1-CE1 3.86Å; F634-F669 HydrophobicContact CD1-CZ 4.14Å; F634-F669 WeakPolarHBondContact O-CZ 3.4Å; A637-F669 HydrophobicContact CB-CE2 4.16Å; L638-F669 HydrophobicContact CB-CE2 3.94Å; L638-F669 HydrophobicContact CB-CZ 3.73Å; L638-F669 HydrophobicContact CD1-CE2 4.5Å; L641-F669 HydrophobicContact CD1-CD2 3.81Å; L641-F669 HydrophobicContact CD1-CE2 4.06Å; V665-F669 HydrophobicContact CG1-CD2 3.76Å; V665-F669 HydrophobicContact CG1-CE1 4.47Å; V665-F669 HydrophobicContact CG1-CE2 3.43Å; V665-F669 VanDerWaalsContact CG1-CE2 3.43Å; V665-F669 HydrophobicContact CG1-CG 4.41Å; V665-F669 HydrophobicContact CG1-CZ 3.82Å; V665-F669 WeakPolarHBondContact O-CB 3.26Å; V665-F669 WeakPolarHBondContact O-CG 3.33Å; V665-F669 PolarHBondContact O-N 3.14Å; A666-F669 PolarHBondContact O-N 3.43Å; I667-F669 PolarHBondContact O-N 3.39Å; F669-L672 HydrophobicContact CD1-CD1 4.37Å; F669-G673 PolarHBondContact O-N 2.92Å; F669-F674 HydrophobicContact CB-CB 4.16Å; F669-F674 AromaticContact CD1-CD2 3.86Å; F669-F674 HydrophobicContact CD1-CD2 3.86Å; F669-F674 HydrophobicContact CE1-CD2 4.24Å; F669-F674 HydrophobicContact CG-CD2 4.43Å; F669-F674 WeakPolarHBondContact O-CB 3.29Å; F669-F674 PolarHBondContact O-N 3.4Å; F669-I675 HydrophobicContact CB-CD1 3.97Å; F669-I675 HydrophobicContact CB-CG1 4.06Å; F669-I675 HydrophobicContact CB-CG2 4.1Å
670	Y	94.2	Very high	94	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-45.6	172.5	-172.2	-93.2	0	0	0	110.8	S550 I551 Q554 L562 A666 I667 T668 L672 G673 I675 T677	S550-Y670 VanDerWaalsContact C-OH 3.29Å; S550-Y670 PolarHBondContact O-OH 3.43Å; I551-Y670 HydrophobicContact CB-CD1 4.19Å; I551-Y670 HydrophobicContact CB-CE1 3.88Å; I551-Y670 WeakPolarHBondContact CB-O 3.31Å; I551-Y670 HydrophobicContact CG1-CE1 4.4Å; I551-Y670 WeakPolarHBondContact CG2-O 3.45Å; Q554-Y670 WeakPolarHBondContact CB-OH 3.37Å; Q554-Y670 PolarHBondContact OE1-OH 3.44Å; L562-Y670 HydrophobicContact CD1-CG 4.23Å; A666-Y670 WeakPolarHBondContact O-CB 3.44Å; A666-Y670 PolarHBondContact O-N 3.32Å; I667-Y670 WeakPolarHBondContact O-CB 3.27Å; I667-Y670 PolarHBondContact O-N 3.41Å; T668-Y670 VanDerWaalsContact C-N 3.27Å; T668-Y670 PolarHBondContact O-N 2.88Å; Y670-L672 VanDerWaalsContact C-N 3.28Å; Y670-L672 PolarHBondContact O-N 2.92Å; Y670-G673 PolarHBondContact O-N 3.45Å; Y670-I675 HydrophobicContact CD2-CG1 4.35Å; Y670-T677 HydrophobicContact CD2-CG2 4.41Å; Y670-T677 HydrophobicContact CE2-CG2 4.11Å
671	K	92.3	Very high	93.1	Very high	107 Å²	107	30.1 Å²	30.1	47%	0.465	15%	0.146	S	C	.	.	H	α-helix	trans	-59.4	-36.8	175.9	-73.6	179.4	179.2	-179.5	0	112.9	I551 S559 I667 T668 G673	I551-K671 HydrophobicContact CD1-CB 4.41Å; I551-K671 HydrophobicContact CD1-CG 4.48Å; S559-K671 WeakPolarHBondContact OG-CE 3.31Å; I667-K671 HydrophobicContact CG2-CD 4.11Å; I667-K671 WeakPolarHBondContact O-CG 3.29Å; I667-K671 PolarHBondContact O-N 2.97Å; T668-K671 PolarHBondContact O-N 3.48Å; K671-G673 PolarHBondContact O-N 3.22Å
672	L	91.8	Very high	91.7	Very high	55 Å²	55	36.3 Å²	36.3	29%	0.288	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.2	175.2	-67.3	170.2	0	0	0	113.8	F630 T668 F669 Y670 F674	F630-L672 HydrophobicContact CE1-CD1 3.91Å; F630-L672 HydrophobicContact CZ-CD1 3.52Å; T668-L672 HydrophobicContact CG2-CD1 4Å; T668-L672 HydrophobicContact CG2-CG 4.45Å; T668-L672 WeakPolarHBondContact O-CB 3.5Å; T668-L672 VanDerWaalsContact O-CG 3.3Å; T668-L672 WeakPolarHBondContact O-CG 3.25Å; T668-L672 PolarHBondContact O-N 2.86Å; F669-L672 HydrophobicContact CD1-CD1 4.37Å; Y670-L672 VanDerWaalsContact C-N 3.28Å; Y670-L672 PolarHBondContact O-N 2.92Å; L672-F674 HydrophobicContact CB-CD1 3.78Å; L672-F674 HydrophobicContact CB-CD2 4.37Å; L672-F674 HydrophobicContact CB-CE1 3.92Å; L672-F674 HydrophobicContact CB-CE2 4.47Å; L672-F674 HydrophobicContact CB-CG 4.05Å; L672-F674 HydrophobicContact CB-CZ 4.27Å; L672-F674 HydrophobicContact CD1-CD2 4.34Å; L672-F674 HydrophobicContact CD1-CE2 4.03Å; L672-F674 HydrophobicContact CD1-CZ 4.23Å; L672-F674 WeakPolarHBondContact O-CD1 3.45Å; L672-F674 PolarHBondContact O-N 3.2Å
673	G	92.7	Very high	89.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.6	-175.7	0	0	0	0	0	114	L613 F669 Y670 K671 I675	L613-G673 WeakPolarHBondContact CD1-O 3.46Å; F669-G673 PolarHBondContact O-N 2.92Å; Y670-G673 PolarHBondContact O-N 3.45Å; K671-G673 PolarHBondContact O-N 3.22Å; G673-I675 VanDerWaalsContact C-N 3.33Å
674	F	95	Very high	86.9	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.			trans	-74.9	-25.6	-177.6	-73.1	7.7	0	0	0	112.6	L570 I571 I576 V609 H611 L613 I628 F630 F669 L672	L570-F674 CarbonylContact C-O 3.47Å; L570-F674 WeakPolarHBondContact CA-O 3.25Å; L570-F674 WeakPolarHBondContact CD1-O 3.49Å; I571-F674 PolarHBondContact N-O 3.14Å; I576-F674 HydrophobicContact CD1-CB 3.73Å; I576-F674 HydrophobicContact CD1-CD1 3.86Å; I576-F674 HydrophobicContact CD1-CG 3.8Å; I576-F674 WeakPolarHBondContact CD1-O 3.22Å; I576-F674 HydrophobicContact CG1-CD1 4.37Å; I576-F674 HydrophobicContact CG2-CD2 4.42Å; V609-F674 HydrophobicContact CG1-CE2 3.82Å; V609-F674 HydrophobicContact CG1-CZ 4.1Å; H611-F674 HydrophobicContact CB-CE1 4.2Å; H611-F674 HydrophobicContact CB-CZ 4.49Å; H611-F674 AromaticContact CG-CE1 3.95Å; L613-F674 HydrophobicContact CD1-CD1 3.51Å; L613-F674 HydrophobicContact CD1-CE1 3.86Å; I628-F674 HydrophobicContact CD1-CZ 4.47Å; F630-F674 HydrophobicContact CE2-CE2 4.15Å; F630-F674 HydrophobicContact CZ-CE2 4.12Å; F669-F674 HydrophobicContact CB-CB 4.16Å; F669-F674 AromaticContact CD1-CD2 3.86Å; F669-F674 HydrophobicContact CD1-CD2 3.86Å; F669-F674 HydrophobicContact CE1-CD2 4.24Å; F669-F674 HydrophobicContact CG-CD2 4.43Å; F669-F674 WeakPolarHBondContact O-CB 3.29Å; F669-F674 PolarHBondContact O-N 3.4Å; L672-F674 HydrophobicContact CB-CD1 3.78Å; L672-F674 HydrophobicContact CB-CD2 4.37Å; L672-F674 HydrophobicContact CB-CE1 3.92Å; L672-F674 HydrophobicContact CB-CE2 4.47Å; L672-F674 HydrophobicContact CB-CG 4.05Å; L672-F674 HydrophobicContact CB-CZ 4.27Å; L672-F674 HydrophobicContact CD1-CD2 4.34Å; L672-F674 HydrophobicContact CD1-CE2 4.03Å; L672-F674 HydrophobicContact CD1-CZ 4.23Å; L672-F674 WeakPolarHBondContact O-CD1 3.45Å; L672-F674 PolarHBondContact O-N 3.2Å
675	I	95.8	Very high	84	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158.8	-175.5	62.6	174.2	0	0	0	112.1	I568 R569 L641 A666 F669 Y670 G673	I568-I675 HydrophobicContact CB-CD1 4.02Å; I568-I675 HydrophobicContact CD1-CD1 3.74Å; I568-I675 HydrophobicContact CG1-CD1 4.49Å; I568-I675 HydrophobicContact CG2-CD1 3.93Å; R569-I675 CarbonylContact O-C 3.56Å; R569-I675 WeakPolarHBondContact O-CA 3.42Å; R569-I675 WeakPolarHBondContact O-CB 3.45Å; L641-I675 HydrophobicContact CD1-CG2 3.88Å; A666-I675 HydrophobicContact CB-CD1 4.47Å; A666-I675 VanDerWaalsContact O-CD1 3.31Å; A666-I675 WeakPolarHBondContact O-CD1 3.47Å; F669-I675 HydrophobicContact CB-CD1 3.97Å; F669-I675 HydrophobicContact CB-CG1 4.06Å; F669-I675 HydrophobicContact CB-CG2 4.1Å; Y670-I675 HydrophobicContact CD2-CG1 4.35Å; G673-I675 VanDerWaalsContact C-N 3.33Å
676	I	94.7	Very high	81	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.4	168.2	65	167.8	0	0	0	110.4	E546 R549 I568 R569 I571 F648	E546-I676 HydrophobicContact CB-CD1 4.47Å; E546-I676 HydrophobicContact CG-CD1 4.02Å; R549-I676 HydrophobicContact CB-CB 4.45Å; I568-I676 WeakPolarHBondContact CA-O 3.47Å; R569-I676 PolarHBondContact N-O 3.08Å; R569-I676 VanDerWaalsContact NH2-CD1 3.35Å; R569-I676 PolarHBondContact O-N 3.03Å; I571-I676 HydrophobicContact CB-CG2 4.41Å; I571-I676 HydrophobicContact CD1-CG2 4.06Å; I571-I676 HydrophobicContact CG1-CG2 3.93Å; F648-I676 HydrophobicContact CE1-CD1 4.38Å; F648-I676 HydrophobicContact CE1-CG1 4.04Å; F648-I676 HydrophobicContact CZ-CD1 4.03Å; F648-I676 HydrophobicContact CZ-CG1 4.19Å
677	T	94.8	Very high	77.8	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149	179.9	51.6	0	0	0	0	112.5	R549 L562 K567 I568 F648 Y670 H679 M681	R549-T677 WeakPolarHBondContact CB-O 3.42Å; R549-T677 VanDerWaalsContact CD-O 3.31Å; R549-T677 WeakPolarHBondContact CD-O 3.38Å; R549-T677 PolarHBondContact O-N 3.47Å; R549-T677 VanDerWaalsContact O-N 3.13Å; R549-T677 PolarHBondContact O-OG1 2.87Å; L562-T677 HydrophobicContact CD2-CG2 3.71Å; K567-T677 WeakPolarHBondContact O-CA 3.1Å; I568-T677 HydrophobicContact CG2-CG2 4.41Å; F648-T677 VanDerWaalsContact CE1-C 3.49Å; Y670-T677 HydrophobicContact CD2-CG2 4.41Å; Y670-T677 HydrophobicContact CE2-CG2 4.11Å; T677-H679 WeakPolarHBondContact CB-O 3.39Å; T677-H679 PolarHBondContact OG1-O 2.88Å; T677-M681 HydrophobicContact CG2-SD 4.33Å
678	E	93.2	Very high	74.8	Confident	13 Å²	13	65.3 Å²	65.3	6%	0.061	34%	0.34	C	S	.	.	S	Bend	trans	-70	-34.5	176.8	-177.4	-177.5	-148	0	0	112.3	T164 R549 K567 F648	T164-E678 HydrophobicContact CG2-CG 4.08Å; T164-E678 WeakPolarHBondContact CG2-OE1 3.07Å; R549-E678 VanDerWaalsContact NH1-C 3.35Å; R549-E678 PolarHBondContact NH1-O 3.17Å; K567-E678 HydrophobicContact CB-CB 3.9Å; K567-E678 WeakPolarHBondContact CB-OE2 2.81Å; K567-E678 WeakPolarHBondContact CD-OE2 3.41Å; K567-E678 WeakPolarHBondContact CE-OE2 3.43Å; K567-E678 WeakPolarHBondContact CG-OE2 3.26Å; K567-E678 IonicContact NZ-OE1 3.95Å; K567-E678 PolarHBondContact NZ-OE1 2.82Å; K567-E678 IonicContact NZ-OE2 2.82Å; K567-E678 PolarHBondContact NZ-OE2 2.92Å; K567-E678 PolarHBondContact O-N 3.2Å; F648-E678 HydrophobicContact CB-CB 4.31Å; F648-E678 HydrophobicContact CD1-CB 3.64Å; F648-E678 HydrophobicContact CD1-CG 4.46Å; F648-E678 HydrophobicContact CD2-CG 4.5Å; F648-E678 HydrophobicContact CE1-CB 4.03Å; F648-E678 HydrophobicContact CG-CB 3.91Å; F648-E678 HydrophobicContact CG-CG 4.27Å
679	H	88.2	Confident	71.6	Confident	103 Å²	103	70 Å²	70	48%	0.477	37%	0.369	S	S	.	.	S	Bend	trans	-115.7	145.1	-179.8	-63.2	-70.5	0	0	0	109.6	T677 M681	T677-H679 WeakPolarHBondContact CB-O 3.39Å; T677-H679 PolarHBondContact OG1-O 2.88Å; H679-M681 PolarHBondContact O-N 2.9Å
680	K	85.6	Confident	68.4	Low	118 Å²	118	79 Å²	79	51%	0.513	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-62.7	129.7	175.1	-53.6	-177.7	-166.9	-170.7	0	107.9	I548	I548-K680 HydrophobicContact CD1-CD 3.8Å; I548-K680 HydrophobicContact CD1-CG 4.24Å; I548-K680 HydrophobicContact CG1-CD 4.43Å; I548-K680 HydrophobicContact CG1-CG 4.45Å
681	M	76.1	Confident	65.3	Low	22 Å²	22	85.5 Å²	85.5	11%	0.108	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-64.9	141.8	170.9	-48.1	-95.9	64.5	0	0	108.8	Q561 L562 T677 H679 Q683	Q561-M681 HydrophobicContact CB-CE 4.43Å; Q561-M681 HydrophobicContact CB-SD 4.01Å; L562-M681 HydrophobicContact CD2-CE 4.42Å; L562-M681 HydrophobicContact CD2-SD 3.78Å; L562-M681 HydrophobicContact CG-SD 4.18Å; T677-M681 HydrophobicContact CG2-SD 4.33Å; H679-M681 PolarHBondContact O-N 2.9Å; M681-Q683 PolarHBondContact O-N 3.12Å
682	H	67.3	Low	62.1	Low	155 Å²	155	87.2 Å²	87.2	72%	0.718	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-59.6	130.7	-172.2	-70.2	-5.6	0	0	0	110.2	Q561 I684	Q561-H682 PolarHBondContact NE2-O 2.84Å; Q561-H682 PolarHBondContact OE1-O 3.36Å; H682-I684 PolarHBondContact O-N 2.97Å
683	Q	50.7	Low	59.3	Low	150 Å²	150	90.8 Å²	90.8	70%	0.701	49%	0.489	S	S	*	.			trans	-70.7	108.9	162.2	-72	175.4	-6	0	0	104.5	M681 N685	M681-Q683 PolarHBondContact O-N 3.12Å; Q683-N685 PolarHBondContact O-N 3.13Å
684	I	40	Very low	56.1	Low	138 Å²	138	94.3 Å²	94.3	71%	0.708	53%	0.525	S	S	*	.			trans	-63.4	103.7	158.6	-60.5	171.9	0	0	0	102.5	H682 D686	H682-I684 PolarHBondContact O-N 2.97Å; I684-D686 PolarHBondContact O-N 2.89Å
685	N	34.4	Very low	53	Low	109 Å²	109	103.7 Å²	103.7	58%	0.583	57%	0.569	S	S	*	*			trans	-64.8	118.9	163.4	-70.7	-11.2	0	0	0	104.3	Q683 D687	Q683-N685 PolarHBondContact O-N 3.13Å; N685-D687 HydrophobicContact CB-CB 4.28Å; N685-D687 PolarHBondContact O-N 3.05Å
686	D	32.5	Very low	49.7	Very low	162 Å²	162	108.2 Å²	108.2	87%	0.866	61%	0.607	S	S	*	*			trans	-76.3	40.2	168.7	-149	12.1	0	0	0	109.5	I684	I684-D686 PolarHBondContact O-N 2.89Å
687	D	30.7	Very low	46.4	Very low	136 Å²	136	115.9 Å²	115.9	73%	0.727	65%	0.648	S	S	*	*			trans	-120.8	106.7	-179.7	-68.1	-39.9	0	0	0	108	N685	N685-D687 HydrophobicContact CB-CB 4.28Å; N685-D687 PolarHBondContact O-N 3.05Å
688	G	30.7	Very low	43.3	Very low	69 Å²	69	122.8 Å²	122.8	71%	0.711	69%	0.69	S	S	*	*			trans	82.9	100.3	146.8	0	0	0	0	0	116.3	E690	G688-E690 PolarHBondContact O-N 3.27Å
689	V	27.7	Very low	40.2	Very low	132 Å²	132	128.6 Å²	128.6	80%	0.8	72%	0.721	S	S	*	*			trans	-54.5	92.2	146.6	179.8	0	0	0	0	108.1
690	E	28.1	Very low	37.2	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	74%	0.738	S	S	*	*			trans	-91.2	100.8	160.4	-92.1	-170.7	166	0	0	108.6	G688 T692	G688-E690 PolarHBondContact O-N 3.27Å; E690-T692 PolarHBondContact O-N 3.48Å
691	N	29.2	Very low	34.4	Very low	136 Å²	136	134.9 Å²	134.9	73%	0.727	75%	0.754	S	S	*	*			trans	-57.4	123.9	166.8	-79.9	-29.2	0	0	0	110	T693	N691-T693 PolarHBondContact O-N 2.65Å; N691-T693 VanDerWaalsContact O-N 3.13Å
692	T	25.6	Very low	31.9	Very low	143 Å²	143	140.8 Å²	140.8	88%	0.877	79%	0.786	S	S	*	*			trans	-66.2	100.1	164.2	27.9	0	0	0	0	111.2	E690	E690-T692 PolarHBondContact O-N 3.48Å
693	T	31.6	Very low	30.1	Very low	131 Å²	131	140.1 Å²	140.1	80%	0.804	79%	0.793	S	S	*	*			trans	-152.8	107.3	150.4	47.9	0	0	0	0	105.3	N691	N691-T693 PolarHBondContact O-N 2.65Å; N691-T693 VanDerWaalsContact O-N 3.13Å
694	G	26.6	Very low	28.9	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	79%	0.789	S	S	*	*				105.5	124.5	71.6	0	0	0	0	0	108.4
695	E	29.1	Very low	28.3	Very low	196 Å²	196	138.1 Å²	138.1	92%	0.916	80%	0.795	S	S	*	*			trans	98.6	102.3	164.6	-56.4	-171.1	162.7	0	0	120.5
696	A	27.8	Very low	28.1	Very low	96 Å²	96	137.2 Å²	137.2	79%	0.793	80%	0.803	S	S	*	*				56.7	113.8	122.6	0	0	0	0	0	122.2
697	N	24	Very low	27.9	Very low	161 Å²	161	138 Å²	138	86%	0.861	80%	0.801	S	S	*	*			trans	4.4	127.8	141.3	-64.6	-23.8	0	0	0	118.3
698	V	31.2	Very low	27.9	Very low	147 Å²	147	141 Å²	141	89%	0.891	81%	0.81	S	S	*	*				-157.5	144.7	116	-179.3	0	0	0	0	110.1
699	D	26.9	Very low	27.6	Very low	135 Å²	135	144.8 Å²	144.8	72%	0.722	81%	0.814	S	S	*	*			trans	-56.8	153.8	-176.6	-71.7	-55.6	0	0	0	120.1
700	Y	24.8	Very low	27.8	Very low	212 Å²	212	144.1 Å²	144.1	83%	0.831	82%	0.815	S	S	*	*			trans	34.9	130.2	142.6	-78.1	-93.2	0	0	0	121.2
701	V	28	Very low	27.8	Very low	140 Å²	140	138.1 Å²	138.1	85%	0.848	80%	0.804	S	S	*	*				-176.2	136.2	103.6	155.6	0	0	0	0	110.6
702	N	24	Very low	27.7	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	81%	0.812	S	S	*	*			trans	-55.4	152.1	169.4	-94.2	-25.2	0	0	0	113.6
703	V	29.3	Very low	27.8	Very low	141 Å²	141	139.8 Å²	139.8	86%	0.855	81%	0.811	S	S	*	*				-170.7	142.3	118.9	152.8	0	0	0	0	109.6
704	S	25.9	Very low	27.4	Very low	89 Å²	89	142.3 Å²	142.3	62%	0.622	82%	0.816	S	S	*	*			trans	-80	161.7	-170.2	-19.5	0	0	0	0	115.7
705	D	26.1	Very low	27.5	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	82%	0.816	S	S	*	*			trans	74.6	112.4	144.1	-57	-24.9	0	0	0	121
706	A	29.6	Very low	27.4	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	81%	0.814	S	S	*	*				169	127.8	95.4	0	0	0	0	0	113.5
707	H	28.3	Very low	27.2	Very low	178 Å²	178	144.6 Å²	144.6	82%	0.824	81%	0.814	S	S	*	*			trans	43.9	117.1	145.8	-64.7	-65.7	0	0	0	122.5
708	H	31.9	Very low	27.5	Very low	201 Å²	201	142.9 Å²	142.9	93%	0.931	81%	0.811	S	S	*	*				-146	141.4	128.4	-114.5	-70.3	0	0	0	111.8
709	D	24.9	Very low	27.2	Very low	148 Å²	148	144.9 Å²	144.9	79%	0.791	81%	0.808	S	S	*	*			trans	-93.5	170.7	-171.5	-161.4	2.7	0	0	0	112.1
710	S	30.9	Very low	27.3	Very low	118 Å²	118	144 Å²	144	83%	0.825	80%	0.803	S	S	*	*			trans	81.1	135.6	177.1	77.1	0	0	0	0	117.4
711	G	28.3	Very low	27.5	Very low	62 Å²	62	138 Å²	138	64%	0.639	79%	0.791	S	S	*	*			cis	172.5	150.6	-1.1	0	0	0	0	0	109.3
712	S	26.3	Very low	27.6	Very low	127 Å²	127	136.1 Å²	136.1	89%	0.888	78%	0.784	S	S	*	*			trans	57.7	133.8	170.8	62.6	0	0	0	0	116.9
713	E	28.4	Very low	27.8	Very low	187 Å²	187	133.2 Å²	133.2	87%	0.874	78%	0.775	S	S	*	*				-163.4	146.4	53.9	-160.2	169.7	-159.7	0	0	110.1	G715	E713-G715 PolarHBondContact O-N 2.64Å
714	M	23.8	Very low	27.9	Very low	183 Å²	183	133.7 Å²	133.7	90%	0.901	77%	0.772	S	S	*	*			trans	-69.6	106.3	-179.3	-75.7	-99.8	-78.2	0	0	110.9	E716	M714-E716 PolarHBondContact O-N 3.15Å
715	G	27.3	Very low	28.1	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	77%	0.769	S	S	*	*			trans	-74.4	101.1	166.5	0	0	0	0	0	110.9	E713 I717	E713-G715 PolarHBondContact O-N 2.64Å; G715-I717 PolarHBondContact O-N 3.17Å
716	E	26.8	Very low	28.2	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55.2	127.8	172.9	-70.5	-172.2	137	0	0	112.1	M714 P718	M714-E716 PolarHBondContact O-N 3.15Å; E716-P718 WeakPolarHBondContact O-CD 3.42Å
717	I	24.7	Very low	28.1	Very low	154 Å²	154	138.1 Å²	138.1	79%	0.79	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74	120.6	168.1	-61.5	167.6	0	0	0	107.5	G715 K719	G715-I717 PolarHBondContact O-N 3.17Å; I717-K719 PolarHBondContact O-N 3.24Å; I717-K719 VanDerWaalsContact O-N 3.14Å
718	P	29.6	Very low	28.2	Very low	125 Å²	125	136 Å²	136	81%	0.812	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-68	118.7	178.1	-15.7	29.2	0	0	0	110.1	E716	E716-P718 WeakPolarHBondContact O-CD 3.42Å
719	K	26.3	Very low	27.9	Very low	190 Å²	190	134.1 Å²	134.1	83%	0.826	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-74.1	145.5	161.6	-68.2	171.4	-177.3	160.8	0	108.4	I717	I717-K719 PolarHBondContact O-N 3.24Å; I717-K719 VanDerWaalsContact O-N 3.14Å
720	D	27.6	Very low	27.9	Very low	115 Å²	115	130.1 Å²	130.1	62%	0.615	75%	0.754	S	S	*	*			trans	78.5	102.6	167.4	-63.9	-25.2	0	0	0	120	S722	D720-S722 VanDerWaalsContact C-N 3.27Å; D720-S722 PolarHBondContact O-N 3.25Å
721	P	29.1	Very low	27.7	Very low	88 Å²	88	133.3 Å²	133.3	57%	0.571	75%	0.753	S	S	*	*			trans	-85.9	70.2	149.5	35.2	-25.6	0	0	0	108.7	R276	R276-P721 VanDerWaalsContact NH2-CD 3.32Å
722	S	30.4	Very low	27.5	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	76%	0.764	S	S	*	*			trans	-117.3	-3.2	167.9	64.9	0	0	0	0	112.5	D720	D720-S722 VanDerWaalsContact C-N 3.27Å; D720-S722 PolarHBondContact O-N 3.25Å
723	S	28.7	Very low	27.5	Very low	85 Å²	85	142.3 Å²	142.3	59%	0.594	76%	0.758	S	S	*	*	S	Bend	trans	-100.3	-8.2	-176.5	55	0	0	0	0	115.2	V725	S723-V725 PolarHBondContact O-N 3.23Å
724	L	30.8	Very low	27.4	Very low	150 Å²	150	140.1 Å²	140.1	79%	0.785	75%	0.752	S	S	*	*	S	Bend	trans	-93.2	12.9	-172.3	-94.4	153.9	0	0	0	115.7
725	V	31.4	Very low	27.4	Very low	94 Å²	94	143.3 Å²	143.3	57%	0.57	76%	0.755	S	S	*	*			trans	-127.3	59.1	173.2	-168.1	0	0	0	0	110.1	S723	S723-V725 PolarHBondContact O-N 3.23Å
726	K	27.9	Very low	27.4	Very low	179 Å²	179	143 Å²	143	78%	0.778	75%	0.752	S	S	*	*			trans	-108.7	0.1	167.5	-84.9	-172.3	177.7	179.6	0	114.2	I728	K726-I728 PolarHBondContact O-N 3.26Å
727	N	26.6	Very low	27.2	Very low	157 Å²	157	142 Å²	142	84%	0.84	75%	0.751	S	S	*	*			trans	-102.6	76.3	175	-72.9	-6.2	0	0	0	110.4
728	I	30	Very low	27.3	Very low	133 Å²	133	140.3 Å²	140.3	68%	0.682	75%	0.748	S	S	*	*	S	Bend	trans	-163.1	106.3	144	-83.5	138	0	0	0	103.7	K726 G730	K726-I728 PolarHBondContact O-N 3.26Å; I728-G730 VanDerWaalsContact C-N 3.29Å; I728-G730 PolarHBondContact O-N 3.38Å
729	N	26.6	Very low	27.1	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	74%	0.743	S	S	*	*			trans	-66.2	88.2	174.2	-92.3	-26.6	0	0	0	109.4	K731	N729-K731 PolarHBondContact O-N 2.84Å
730	G	25.3	Very low	27.2	Very low	63 Å²	63	138.5 Å²	138.5	65%	0.649	75%	0.748	S	S	*	*			trans	-77.8	99.9	159.1	0	0	0	0	0	108.7	I728 R732	I728-G730 VanDerWaalsContact C-N 3.29Å; I728-G730 PolarHBondContact O-N 3.38Å; G730-R732 PolarHBondContact O-N 2.92Å
731	K	25.3	Very low	27.1	Very low	186 Å²	186	142 Å²	142	81%	0.809	76%	0.76	S	S	*	*			trans	-54.2	109.8	168.6	-96.2	176.7	177.2	168.8	0	108.9	N729 I733	N729-K731 PolarHBondContact O-N 2.84Å; K731-I733 PolarHBondContact O-N 3.44Å; K731-I733 VanDerWaalsContact O-N 3.08Å
732	R	25.1	Very low	27	Very low	227 Å²	227	141.1 Å²	141.1	86%	0.857	77%	0.768	S	S	*	*			trans	-60.6	106	164.2	-87.9	-178.7	166.2	-176.9	-4.9	108.7	G730 N734	G730-R732 PolarHBondContact O-N 2.92Å; R732-N734 PolarHBondContact O-N 3.16Å
733	I	25.3	Very low	27	Very low	150 Å²	150	143.1 Å²	143.1	77%	0.769	78%	0.775	S	S	*	*			trans	-84	94.1	160.2	-59.3	177.4	0	0	0	106.9	K731 R735	K731-I733 PolarHBondContact O-N 3.44Å; K731-I733 VanDerWaalsContact O-N 3.08Å; I733-R735 PolarHBondContact O-N 3.23Å
734	N	26.4	Very low	27	Very low	141 Å²	141	147.6 Å²	147.6	75%	0.754	78%	0.784	S	S	*	*			trans	-68	109.2	161.6	-88.3	-20.7	0	0	0	108.1	R732 G736	R732-N734 PolarHBondContact O-N 3.16Å; N734-G736 VanDerWaalsContact C-N 3.29Å; N734-G736 PolarHBondContact O-N 3.49Å
735	R	24.7	Very low	26.8	Very low	251 Å²	251	147.2 Å²	147.2	95%	0.947	78%	0.783	S	S	*	*			trans	-79.7	86.7	156.7	-83.9	-169.6	175.8	-172.1	0	108.3	I733	I733-R735 PolarHBondContact O-N 3.23Å
736	G	26.4	Very low	26.8	Very low	68 Å²	68	151 Å²	151	70%	0.701	80%	0.8	S	S	*	*			trans	-103.8	116.5	164.1	0	0	0	0	0	109.3	N734	N734-G736 VanDerWaalsContact C-N 3.29Å; N734-G736 PolarHBondContact O-N 3.49Å
737	L	22.8	Very low	26.8	Very low	164 Å²	164	151.5 Å²	151.5	86%	0.859	81%	0.805	S	S	*	*			trans	-59.6	141.3	167.4	-142.4	79	0	0	0	110.1
738	T	28	Very low	26.8	Very low	118 Å²	118	149.9 Å²	149.9	72%	0.724	81%	0.805	S	S	*	*			trans	129.5	105.2	144.4	64.8	0	0	0	0	115.3
739	S	23.6	Very low	26.9	Very low	102 Å²	102	148.9 Å²	148.9	71%	0.713	81%	0.809	S	S	*	*			trans	20.8	119.5	134.7	54.7	0	0	0	0	119.2
740	L	29.3	Very low	26.8	Very low	175 Å²	175	147.6 Å²	147.6	92%	0.916	80%	0.801	S	S	*	*				-161.5	144.7	122.3	-130.7	86.2	0	0	0	111.4
741	E	25.4	Very low	27	Very low	188 Å²	188	152.4 Å²	152.4	88%	0.879	81%	0.812	S	S	*	*			trans	-69.3	153.2	-178.4	-68.6	160.9	126.4	0	0	114.2
742	G	26.9	Very low	27.1	Very low	71 Å²	71	151.6 Å²	151.6	73%	0.732	81%	0.809	S	S	*	*			trans	85.6	110.2	140.7	0	0	0	0	0	117
743	V	29.8	Very low	27.2	Very low	142 Å²	142	147.8 Å²	147.8	86%	0.861	81%	0.805	S	S	*	*				-170.9	115.1	113.1	168	0	0	0	0	109.3
744	K	30.5	Very low	27.5	Very low	179 Å²	179	148.2 Å²	148.2	78%	0.778	81%	0.809	S	S	*	*			trans	8.2	126.7	147.8	-65.2	177.4	175.3	-178.6	0	120.6
745	D	26.3	Very low	27.6	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	82%	0.815	S	S	*	*				42.3	109.7	120.1	-50.8	-31.1	0	0	0	118.7
746	N	31.2	Very low	28	Very low	174 Å²	174	145.6 Å²	145.6	93%	0.93	81%	0.808	S	S	*	*			trans	-145.7	106	134.7	-95.4	-21.9	0	0	0	109.3
747	Q	26.8	Very low	28.1	Very low	188 Å²	188	150 Å²	150	88%	0.879	82%	0.815	S	S	*	*			trans	-74.8	130.6	161.8	-83.4	163	-38	0	0	108.9
748	C	28.1	Very low	28.5	Very low	124 Å²	124	149.6 Å²	149.6	84%	0.838	81%	0.814	S	S	*	*			trans	-140.5	108.9	152.6	-98.5	0	0	0	0	109.2
749	S	30.2	Very low	28.6	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	82%	0.815	S	S	*	*			trans	36.5	113.2	136.6	-34.8	0	0	0	0	119.5
750	I	25	Very low	28.9	Very low	136 Å²	136	151.5 Å²	151.5	70%	0.697	82%	0.816	S	S	*	*			trans	-68.7	128.6	153	-64.7	159.4	0	0	0	107.9	F752	I750-F752 HydrophobicContact CG2-CD2 3.48Å; I750-F752 VanDerWaalsContact CG2-CD2 3.48Å; I750-F752 HydrophobicContact CG2-CE2 3.44Å; I750-F752 VanDerWaalsContact CG2-CE2 3.44Å; I750-F752 HydrophobicContact CG2-CZ 4.43Å
751	D	29.9	Very low	29	Very low	164 Å²	164	149.9 Å²	149.9	88%	0.877	81%	0.808	S	S	*	*			trans	-123.5	128.6	152.8	-92.5	-33.9	0	0	0	108.5
752	F	26.6	Very low	29.2	Very low	168 Å²	168	150.3 Å²	150.3	74%	0.737	81%	0.81	S	S	*	*			trans	-88.7	158.3	175.2	-83.4	-91.9	0	0	0	109.8	I750	I750-F752 HydrophobicContact CG2-CD2 3.48Å; I750-F752 VanDerWaalsContact CG2-CD2 3.48Å; I750-F752 HydrophobicContact CG2-CE2 3.44Å; I750-F752 VanDerWaalsContact CG2-CE2 3.44Å; I750-F752 HydrophobicContact CG2-CZ 4.43Å
753	N	28.1	Very low	29.4	Very low	147 Å²	147	153.6 Å²	153.6	79%	0.786	81%	0.811	S	S	*	*			trans	98	101.1	170.1	-51.8	-30	0	0	0	113.6
754	D	32.1	Very low	29.5	Very low	160 Å²	160	154.5 Å²	154.5	86%	0.856	81%	0.811	S	S	*	*				-156.2	106	116.1	-83.2	-29.3	0	0	0	107.5
755	E	27.6	Very low	29.6	Very low	186 Å²	186	152.8 Å²	152.8	87%	0.869	81%	0.81	S	S	*	*			trans	-79.5	110.8	157.5	-84.5	-158.2	168.9	0	0	106.6
756	D	33.8	Very low	29.9	Very low	151 Å²	151	150.1 Å²	150.1	81%	0.807	80%	0.802	S	S	*	*			trans	-139.1	120.3	155.2	-96.5	-33.2	0	0	0	109.5	L758	D756-L758 PolarHBondContact O-N 3.28Å
757	N	28.3	Very low	29.8	Very low	159 Å²	159	148.6 Å²	148.6	85%	0.85	79%	0.792	S	S	*	*			trans	-63.4	111.7	178.2	-78.3	-61.2	0	0	0	110.3
758	L	31.9	Very low	30	Very low	157 Å²	157	145.7 Å²	145.7	82%	0.822	78%	0.781	S	S	*	*			trans	-112.2	101.3	158.1	-77	166.6	0	0	0	108.3	D756 D760	D756-L758 PolarHBondContact O-N 3.28Å; L758-D760 PolarHBondContact O-N 3.06Å
759	T	28.7	Very low	30	Very low	123 Å²	123	143.7 Å²	143.7	76%	0.755	77%	0.766	S	S	*	*			trans	-59.8	117.6	151.3	41.6	0	0	0	0	107.9
760	D	30.7	Very low	29.8	Very low	137 Å²	137	146.1 Å²	146.1	73%	0.733	77%	0.765	S	S	*	*			trans	-163.2	125.6	151.5	-84.7	-29.9	0	0	0	110	L758	L758-D760 PolarHBondContact O-N 3.06Å
761	D	30.6	Very low	29.9	Very low	140 Å²	140	147.3 Å²	147.3	75%	0.749	77%	0.773	S	S	*	*			trans	55.8	101	148.8	-56.3	-29.1	0	0	0	120.9	D763	D761-D763 VanDerWaalsContact C-N 3.3Å; D761-D763 PolarHBondContact O-N 3.28Å
762	E	29.3	Very low	29.9	Very low	197 Å²	197	146.5 Å²	146.5	92%	0.921	77%	0.767	S	S	*	*			trans	-67.2	84.1	156.9	-68.8	-167.4	163.5	0	0	110.5
763	D	32.2	Very low	30.1	Very low	141 Å²	141	145.4 Å²	145.4	75%	0.754	77%	0.769	S	S	*	*			trans	-83.9	110.7	153.6	-85.7	-33.9	0	0	0	108.7	D761 D765	D761-D763 VanDerWaalsContact C-N 3.3Å; D761-D763 PolarHBondContact O-N 3.28Å; D763-D765 PolarHBondContact O-N 2.83Å
764	D	31.9	Very low	30.2	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	77%	0.768	S	S	*	*			trans	-59.2	78.4	173.1	-98	-34.1	0	0	0	110.4	C766	D764-C766 PolarHBondContact O-N 3Å
765	D	32.3	Very low	30.1	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	76%	0.763	S	S	*	*			trans	-71.6	129.4	172.2	-103.2	-24.3	0	0	0	110.3	D763 I767	D763-D765 PolarHBondContact O-N 2.83Å; D765-I767 PolarHBondContact O-N 2.91Å
766	C	33	Very low	30.2	Very low	86 Å²	86	141.8 Å²	141.8	58%	0.581	76%	0.756	S	S	*	*			trans	-55.3	98.7	175.2	-78.6	0	0	0	0	110.1	D764 I768	D764-C766 PolarHBondContact O-N 3Å; C766-I768 PolarHBondContact O-N 2.98Å
767	I	29.5	Very low	30	Very low	142 Å²	142	141.2 Å²	141.2	73%	0.728	75%	0.753	S	S	*	*			trans	-67.7	90.3	167.9	-51.4	-179.8	0	0	0	107.7	D765 T769	D765-I767 PolarHBondContact O-N 2.91Å; I767-T769 HydrophobicContact CG2-CG2 3.43Å; I767-T769 VanDerWaalsContact CG2-CG2 3.43Å; I767-T769 PolarHBondContact O-N 2.91Å
768	I	30.7	Very low	30.1	Very low	127 Å²	127	139.9 Å²	139.9	65%	0.651	75%	0.746	S	S	*	*			trans	-67.2	91.8	152.4	-59.9	175.6	0	0	0	104.4	C766 E770	C766-I768 PolarHBondContact O-N 2.98Å; I768-E770 PolarHBondContact O-N 3.12Å
769	T	28.1	Very low	30	Very low	83 Å²	83	138.6 Å²	138.6	51%	0.509	74%	0.74	S	S	.	*			trans	-65.9	108	171.4	50.4	0	0	0	0	107.3	I767 N771	I767-T769 HydrophobicContact CG2-CG2 3.43Å; I767-T769 VanDerWaalsContact CG2-CG2 3.43Å; I767-T769 PolarHBondContact O-N 2.91Å; T769-N771 VanDerWaalsContact C-N 3.29Å; T769-N771 PolarHBondContact O-N 3.32Å
770	E	24.9	Very low	30.1	Very low	162 Å²	162	139.9 Å²	139.9	76%	0.757	74%	0.739	S	S	*	*			trans	-60.4	94.5	161.9	-81.6	-170.8	153.4	0	0	107.8	I768	I768-E770 PolarHBondContact O-N 3.12Å
771	N	27.9	Very low	30	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	74%	0.739	S	S	*	*			trans	-151.9	0	159.2	-97.8	-28.2	0	0	0	111.2	T769	T769-N771 VanDerWaalsContact C-N 3.29Å; T769-N771 PolarHBondContact O-N 3.32Å

Retrieved 771 of 771 residues in 738.2 ms (Link to these results)

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